2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one

C20H16N4O — CID 5330237

IUPAC2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1
InChIInChI=1S/C20H16N4O/c25-18-12-11-16-13-21-20(22-17-9-5-2-6-10-17)23-19(16)24(18)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,22,23)
InChIKeyMHZCBYNKWGSPEP-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.58
Rot. Bonds4

About 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330237) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330237
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1
InChIInChI=1S/C20H16N4O/c25-18-12-11-16-13-21-20(22-17-9-5-2-6-10-17)23-19(16)24(18)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,22,23)
InChIKeyMHZCBYNKWGSPEP-UHFFFAOYSA-N
XLogP3.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694
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CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
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2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
C-1368
CID 9549303

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one (CID 5330237) is 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1.
What is the InChIKey of 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MHZCBYNKWGSPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-18-12-11-16-13-21-20(22-17-9-5-2-6-10-17)23-19(16)24(18)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,22,23).
What are the key properties of 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 328.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-benzylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).