7-Benzyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-dione

C₁₄H₁₅N₃O₂CAS 62459-02-3257.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₅N₃O₂
Molar mass: 257.29 g/mol
Exact mass: 257.1164 Da
logP: 0.62Crippen estimate
Polar surface area: 69.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

62459-02-3

SMILES

C1CN(CC2=C1C(=O)NC(=O)N2)CC3=CC=CC=C3

InChIKey

DYNBNPAECUWPPS-UHFFFAOYSA-N

InChI

InChI=1S/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)

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Names and synonyms

1 names

7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine-2,4(1H,3H)-dione

Work with 7-Benzyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one109229-22-349 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-539 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-438 % similar Tribenzylamine620-40-638 % similar 1-Benzylpiperidine2905-56-837 % similar 6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidine778574-06-437 % similar 1-(2-Aminoethyl)-4-benzylpiperazine4553-21-336 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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