6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H21N3O — CID 137091051

IUPAC6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)20-22-19-11-12-24(14-18(19)21(25)23-20)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,22,23,25)
InChIKeyVFQGAOMATLUCKK-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.30
Rot. Bonds3

About 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137091051) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137091051
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)20-22-19-11-12-24(14-18(19)21(25)23-20)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,22,23,25)
InChIKeyVFQGAOMATLUCKK-UHFFFAOYSA-N
XLogP3.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imino-10-methyl-5-oxo-1-phenethyl-N-(1-phenylethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 5221469
7-benzyl-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1320906
7-benzyl-6-imino-13-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145972389
7-benzyl-6-imino-12-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145978394
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
2-Phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578165
N-Benzyl-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1050210
1-benzyl-N-cyclohexyl-2-imino-10-methyl-5-oxodipyrido[4,3-b:1'',2''-f]pyrimidine-3-carboxamide
CID 1319945
1-Cyclohexyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3481391
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide
CID 661014

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137091051) is 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(-c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)cc1.
What is the InChIKey of 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VFQGAOMATLUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)20-22-19-11-12-24(14-18(19)21(25)23-20)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,22,23,25).
What are the key properties of 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 331.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137091051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).