6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one

C16H15N3O3 — CID 134808997

IUPAC6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(C)c(=O)c3n2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-19-9-17-12-6-5-11(18-15(12)16(19)20)10-4-7-13(21-2)14(8-10)22-3/h4-9H,1-3H3
InChIKeyNTUUUQUEBJJNAM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.01
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one

6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808997) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134808997
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(C)c(=O)c3n2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-19-9-17-12-6-5-11(18-15(12)16(19)20)10-4-7-13(21-2)14(8-10)22-3/h4-9H,1-3H3
InChIKeyNTUUUQUEBJJNAM-UHFFFAOYSA-N
XLogP2.01
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(4-phenylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57391293
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135843369
methyl N-[(2S)-1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]carbamate
CID 66891764
7-(3,4-Dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958745
methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
CID 66959591
7-(3,4-Dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959600
3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
3-Cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
6-(3-Hydroxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134805941

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 134808997) is 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one is COc1ccc(-c2ccc3ncn(C)c(=O)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is NTUUUQUEBJJNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-9-17-12-6-5-11(18-15(12)16(19)20)10-4-7-13(21-2)14(8-10)22-3/h4-9H,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one?
6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).