2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide

C21H20N4O2 — CID 109327306

IUPAC2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C21H20N4O2/c1-14-11-19(20(27)22-13-16-7-4-3-5-8-16)25-21(23-14)24-18-10-6-9-17(12-18)15(2)26/h3-12H,13H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyRXPMZTPERRPEMV-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.66
Rot. Bonds6

About 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide

2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109327306) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
PubChem CID109327306
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C21H20N4O2/c1-14-11-19(20(27)22-13-16-7-4-3-5-8-16)25-21(23-14)24-18-10-6-9-17(12-18)15(2)26/h3-12H,13H2,1-2H3,(H,22,27)(H,23,24,25)
InChIKeyRXPMZTPERRPEMV-UHFFFAOYSA-N
XLogP3.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
methyl 3-[[4-methyl-6-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109327758
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
2-(3-acetylanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330783
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327539
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide (CID 109327306) is 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is RXPMZTPERRPEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-11-19(20(27)22-13-16-7-4-3-5-8-16)25-21(23-14)24-18-10-6-9-17(12-18)15(2)26/h3-12H,13H2,1-2H3,(H,22,27)(H,23,24,25).
What are the key properties of 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).