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

C15H15N3O2 — CID 840037

IUPACN-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C15H15N3O2/c1-9(19)13-14(12-7-5-4-6-8-12)16-10(2)17-15(13)18-11(3)20/h4-8H,1-3H3,(H,16,17,18,20)
InChIKeyBKJHBBYQXHDODW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.61
Rot. Bonds3

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

N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide (PubChem CID 840037) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide
PubChem CID840037
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O
InChIInChI=1S/C15H15N3O2/c1-9(19)13-14(12-7-5-4-6-8-12)16-10(2)17-15(13)18-11(3)20/h4-8H,1-3H3,(H,16,17,18,20)
InChIKeyBKJHBBYQXHDODW-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide (CID 840037) is N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide is CC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O.
What is the InChIKey of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide?
The InChIKey is BKJHBBYQXHDODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(19)13-14(12-7-5-4-6-8-12)16-10(2)17-15(13)18-11(3)20/h4-8H,1-3H3,(H,16,17,18,20).
What are the key properties of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide?
N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 840037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).