4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one

C20H15N3O — CID 5339079

IUPAC4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C20H15N3O/c1-13-18-17(24)12-16(14-8-4-2-5-9-14)22-20(18)23-19(21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,22,23,24)
InChIKeyNPKCOPDOIKMQLU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.96
Rot. Bonds2

About 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one

4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 5339079) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID5339079
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C20H15N3O/c1-13-18-17(24)12-16(14-8-4-2-5-9-14)22-20(18)23-19(21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,22,23,24)
InChIKeyNPKCOPDOIKMQLU-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-(2,6-Diphenylpyrimidin-4-YL)-3,3-dimethylbutanamide
CID 11462102
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
Pentanamide, N-(2,6-diphenyl-4-pyrimidinyl)-
CID 11404772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 5339079) is 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one is Cc1nc(-c2ccccc2)nc2[nH]c(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is NPKCOPDOIKMQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-13-18-17(24)12-16(14-8-4-2-5-9-14)22-20(18)23-19(21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,22,23,24).
What are the key properties of 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 313.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 5339079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).