chempirical

6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one

C14H15N3OCAS 109229-22-3241.29 g/mol

Open in Covalent MOL file
NNHNO
Tertiary amine

Properties

Molecular formula
C14H15N3O
Molar mass
241.29 g/mol
Exact mass
241.1215 Da
logP
1.33Crippen estimate
Polar surface area
49.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
109229-22-3
SMILES
C1CN(CC2=C1N=CNC2=O)CC3=CC=CC=C3
InChIKey
PVNGDFHKRAIVTC-UHFFFAOYSA-N
InChI
InChI=1S/C14H15N3O/c18-14-12-9-17(7-6-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)

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Type any one amount. The others follow from the molar mass.

Work with 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one

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

2-Chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-1,6-naphthyridine210539-04-143 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-538 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-437 % similar Tribenzylamine620-40-637 % similar 1-Benzylpiperidine2905-56-836 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-235 % similar 1-Benzyl-4-piperidone3612-20-235 % similar N-(2-Chloroethyl)dibenzylamine hydrochloride55-43-635 % similar

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

Same formula

1-(Quinoxalin-6-ylcarbonyl)piperidine154235-83-3

Elsewhere

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