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Chemistry
Heterocyclic Building Blocks
Pyridines
pyridopyrimidin
7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Pyrimidines Aryls Amides Ketones Other Aromatic Heterocycles
pyridopyrimidin
dione

[ CAS No. 62459-02-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 62459-02-3
Chemical Structure| 62459-02-3
Structure of 62459-02-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 62459-02-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 62459-02-3 ]
Product Citations

Product Details of [ 62459-02-3 ]

CAS No. :62459-02-3 MDL No. :MFCD09839775
Formula : C14H15N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DYNBNPAECUWPPS-UHFFFAOYSA-N
M.W : 257.29 Pubchem ID :12307852
Synonyms :

Calculated chemistry of [ 62459-02-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.29
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 76.41
TPSA : 68.96 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) : -7.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.89
Log Po/w (XLOGP3) : 0.41
Log Po/w (WLOGP) : -0.06
Log Po/w (MLOGP) : 1.33
Log Po/w (SILICOS-IT) : 2.9
Consensus Log Po/w : 1.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.03
Solubility : 2.41 mg/ml ; 0.00936 mol/l
Class : Soluble
Log S (Ali) : -1.42
Solubility : 9.67 mg/ml ; 0.0376 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -4.56
Solubility : 0.0071 mg/ml ; 0.0000276 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.51

Safety of [ 62459-02-3 ]

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:

Tags: 62459-02-3 synthesis path| 62459-02-3 SDS| 62459-02-3 COA| 62459-02-3 purity| 62459-02-3 application| 62459-02-3 NMR| 62459-02-3 COA| 62459-02-3 structure

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Pyridines
pyridopyrimidin
Chemistry
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pyridopyrimidin
Chemistry
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dione
Chemistry
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Chemistry
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Aryls

Technical Information

• Acyl Group Substitution • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Chan-Lam Coupling Reaction • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction
Historical Records

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[ 62459-02-3 ]

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