N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide

C15H14ClN3O2 — CID 885153

IUPACN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O
InChIInChI=1S/C15H14ClN3O2/c1-8-13(9(2)20)15(18-10(3)21)19-14(17-8)11-4-6-12(16)7-5-11/h4-7H,1-3H3,(H,17,18,19,21)
InChIKeyQDGUFSIFORBCAE-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.27
Rot. Bonds3

About N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide

N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide (PubChem CID 885153) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide
PubChem CID885153
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O
InChIInChI=1S/C15H14ClN3O2/c1-8-13(9(2)20)15(18-10(3)21)19-14(17-8)11-4-6-12(16)7-5-11/h4-7H,1-3H3,(H,17,18,19,21)
InChIKeyQDGUFSIFORBCAE-UHFFFAOYSA-N
XLogP3.27
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide (CID 885153) is N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O.
What is the InChIKey of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide?
The InChIKey is QDGUFSIFORBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-8-13(9(2)20)15(18-10(3)21)19-14(17-8)11-4-6-12(16)7-5-11/h4-7H,1-3H3,(H,17,18,19,21).
What are the key properties of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide?
N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide has a molecular weight of 303.75 g/mol, XLogP of 3.27, 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-(4-chlorophenyl)-6-methylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 885153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).