Home Cart 0 Sign in  
X

[ CAS No. 66131-74-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 66131-74-6
Chemical Structure| 66131-74-6
Chemical Structure| 66131-74-6
Structure of 66131-74-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 66131-74-6 ]

Related Doc. of [ 66131-74-6 ]

Alternatived Products of [ 66131-74-6 ]

Product Details of [ 66131-74-6 ]

CAS No. :66131-74-6 MDL No. :MFCD20695001
Formula : C5H7N5O Boiling Point : -
Linear Structure Formula :- InChI Key :VULZVYGZVOMUKU-UHFFFAOYSA-N
M.W : 153.14 Pubchem ID :12429303
Synonyms :

Calculated chemistry of [ 66131-74-6 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 38.94
TPSA : 120.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.13
Log Po/w (XLOGP3) : -1.06
Log Po/w (WLOGP) : -1.24
Log Po/w (MLOGP) : -1.55
Log Po/w (SILICOS-IT) : -1.31
Consensus Log Po/w : -1.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.46
Solubility : 53.2 mg/ml ; 0.347 mol/l
Class : Very soluble
Log S (Ali) : -0.99
Solubility : 15.7 mg/ml ; 0.102 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.51
Solubility : 47.5 mg/ml ; 0.31 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 66131-74-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 66131-74-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 66131-74-6 ]
  • Downstream synthetic route of [ 66131-74-6 ]

[ 66131-74-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 16462-27-4 ]
  • [ 66131-74-6 ]
Reference: [1] Journal of Scientific and Industrial Research, 1958, vol. 17 B, p. 63,68
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 66131-74-6 ]

Amides

Chemical Structure| 4786-53-2

[ 4786-53-2 ]

4-Hydroxypyrimidine-5-carboxamide

Similarity: 0.71

Chemical Structure| 1220039-43-9

[ 1220039-43-9 ]

2-(Pyrimidin-2-yl)acetamide

Similarity: 0.66

Chemical Structure| 1194961-19-7

[ 1194961-19-7 ]

2-(((1R,2S)-2-Aminocyclohexyl)amino)-4-(m-tolylamino)pyrimidine-5-carboxamide

Similarity: 0.64

Chemical Structure| 1360443-21-5

[ 1360443-21-5 ]

2-Chloro-N-methylpyrimidine-5-carboxamide

Similarity: 0.64

Chemical Structure| 23676-63-3

[ 23676-63-3 ]

N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide

Similarity: 0.63

Amines

Chemical Structure| 20781-06-0

[ 20781-06-0 ]

2,4-Diaminopyrimidine-5-carboxaldehyde

Similarity: 0.92

Chemical Structure| 15400-54-1

[ 15400-54-1 ]

Ethyl 2,4-diaminopyrimidine-5-carboxylate

Similarity: 0.73

Chemical Structure| 120747-84-4

[ 120747-84-4 ]

2-Aminopyrimidine-5-carbaldehyde

Similarity: 0.73

Chemical Structure| 1588441-19-3

[ 1588441-19-3 ]

2-Aminopyrimidine-5-carbaldehyde hydrate

Similarity: 0.73

Chemical Structure| 4786-53-2

[ 4786-53-2 ]

4-Hydroxypyrimidine-5-carboxamide

Similarity: 0.71

Related Parent Nucleus of
[ 66131-74-6 ]

Pyrimidines

Chemical Structure| 20781-06-0

[ 20781-06-0 ]

2,4-Diaminopyrimidine-5-carboxaldehyde

Similarity: 0.92

Chemical Structure| 15400-54-1

[ 15400-54-1 ]

Ethyl 2,4-diaminopyrimidine-5-carboxylate

Similarity: 0.73

Chemical Structure| 120747-84-4

[ 120747-84-4 ]

2-Aminopyrimidine-5-carbaldehyde

Similarity: 0.73

Chemical Structure| 1588441-19-3

[ 1588441-19-3 ]

2-Aminopyrimidine-5-carbaldehyde hydrate

Similarity: 0.73

Chemical Structure| 4786-53-2

[ 4786-53-2 ]

4-Hydroxypyrimidine-5-carboxamide

Similarity: 0.71