4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one

C22H18N4O — CID 171485671

IUPAC4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
SMILESNc1nc(-c2ccccc2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1
InChIInChI=1S/C22H18N4O/c23-22-24-19(17-9-5-2-6-10-17)14-20(25-22)18-11-12-26(21(27)13-18)15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24,25)
InChIKeyWGPJNFARTMSHEZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.60
Rot. Bonds4

About 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one

4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one (PubChem CID 171485671) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
PubChem CID171485671
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
SMILESNc1nc(-c2ccccc2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1
InChIInChI=1S/C22H18N4O/c23-22-24-19(17-9-5-2-6-10-17)14-20(25-22)18-11-12-26(21(27)13-18)15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24,25)
InChIKeyWGPJNFARTMSHEZ-UHFFFAOYSA-N
XLogP3.60
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
Luf-5735
CID 11392960
FK-3453
CID 52939114
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one?
The IUPAC name of 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one (CID 171485671) is 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one.
What is the SMILES notation for 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one?
The canonical SMILES for 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one is Nc1nc(-c2ccccc2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1.
What is the InChIKey of 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one?
The InChIKey is WGPJNFARTMSHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-22-24-19(17-9-5-2-6-10-17)14-20(25-22)18-11-12-26(21(27)13-18)15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,23,24,25).
What are the key properties of 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one?
4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one has a molecular weight of 354.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one is sourced from PubChem (CID 171485671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).