6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

C21H17N3O4 — CID 110171949

IUPAC6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3-c2ccccc2)cc1OC
InChIInChI=1S/C21H17N3O4/c1-27-17-9-8-13(11-18(17)28-2)14-10-16-19(22-12-14)24(21(26)23-20(16)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25,26)
InChIKeyRZEQUGAUWCLYTK-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.76
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110171949) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110171949
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3-c2ccccc2)cc1OC
InChIInChI=1S/C21H17N3O4/c1-27-17-9-8-13(11-18(17)28-2)14-10-16-19(22-12-14)24(21(26)23-20(16)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25,26)
InChIKeyRZEQUGAUWCLYTK-UHFFFAOYSA-N
XLogP2.76
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110171948
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
methyl 3-[2-[5-(3,4-dimethoxyphenyl)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]ethynyl]benzoate
CID 143240634
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
CID 155556093
3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
CID 58028087
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 46235278
4-methoxy-3-[4-(8-oxo-9-phenyl-7H-purin-6-yl)piperazin-1-yl]benzamide
CID 118111661
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 110171949) is 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3-c2ccccc2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RZEQUGAUWCLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-17-9-8-13(11-18(17)28-2)14-10-16-19(22-12-14)24(21(26)23-20(16)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,25,26).
What are the key properties of 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 375.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110171949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).