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
NOHNONH
Tertiary amine

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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