6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C25H30N4O — CID 71007141

IUPAC6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC/N=c1/n(Cc2ccccc2C)c2c(c(=O)n1C)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H30N4O/c1-4-26-25-27(3)24(30)22-18-28(16-20-11-6-5-7-12-20)15-14-23(22)29(25)17-21-13-9-8-10-19(21)2/h5-13H,4,14-18H2,1-3H3/b26-25+
InChIKeyYBTSLUVPPIEABK-OCEACIFDSA-N
MW402.54 g/mol
LogP3.02
Rot. Bonds5

About 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 71007141) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID71007141
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC/N=c1/n(Cc2ccccc2C)c2c(c(=O)n1C)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H30N4O/c1-4-26-25-27(3)24(30)22-18-28(16-20-11-6-5-7-12-20)15-14-23(22)29(25)17-21-13-9-8-10-19(21)2/h5-13H,4,14-18H2,1-3H3/b26-25+
InChIKeyYBTSLUVPPIEABK-OCEACIFDSA-N
XLogP3.02
TPSA42.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 157111806
6-benzyl-2,3-bis(ethenyl)-1-ethyl-7,8-dihydro-5H-1,6-naphthyridin-4-one
CID 142430077
6-benzyl-3-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 159067808
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
11-benzyl-N-[(3-chlorophenyl)methyl]-2-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53053709
11-benzyl-N-[(2-fluorophenyl)methyl]-2-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide
CID 53053703
1-benzylpiperidin-4-one;butane
CID 70571840
3-benzyl-1-methyl-6-(3-phenylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 22509098
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
3-benzyl-1-methyl-6-(3-pyrrol-1-ylprop-2-ynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 22509076
2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 141304369

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 71007141) is 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is CC/N=c1/n(Cc2ccccc2C)c2c(c(=O)n1C)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YBTSLUVPPIEABK-OCEACIFDSA-N. The full InChI is InChI=1S/C25H30N4O/c1-4-26-25-27(3)24(30)22-18-28(16-20-11-6-5-7-12-20)15-14-23(22)29(25)17-21-13-9-8-10-19(21)2/h5-13H,4,14-18H2,1-3H3/b26-25+.
What are the key properties of 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 402.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-ethylimino-3-methyl-1-[(2-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 71007141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).