N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide

C21H19N3O2 — CID 873457

IUPACN-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide
SMILESCC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H19N3O2/c1-14-19(15(2)25)21(23-18(26)13-16-9-5-3-6-10-16)24-20(22-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,23,24,26)
InChIKeyJNYPRNRBNAQLFY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.84
Rot. Bonds5

About N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide

N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide (PubChem CID 873457) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide
PubChem CID873457
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide
SMILESCC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H19N3O2/c1-14-19(15(2)25)21(23-18(26)13-16-9-5-3-6-10-16)24-20(22-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,23,24,26)
InChIKeyJNYPRNRBNAQLFY-UHFFFAOYSA-N
XLogP3.84
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Luf-5735
CID 11392960
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
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
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
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide?
The IUPAC name of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide (CID 873457) is N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide is CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide?
The InChIKey is JNYPRNRBNAQLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-19(15(2)25)21(23-18(26)13-16-9-5-3-6-10-16)24-20(22-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,23,24,26).
What are the key properties of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide?
N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide has a molecular weight of 345.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide is sourced from PubChem (CID 873457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).