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

C21H21N5O2 — CID 109327308

IUPAC2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C21H21N5O2/c1-14-11-19(20(28)22-13-16-7-4-3-5-8-16)26-21(23-14)25-18-10-6-9-17(12-18)24-15(2)27/h3-12H,13H2,1-2H3,(H,22,28)(H,24,27)(H,23,25,26)
InChIKeyZKPJMUMATPWJSX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.42
Rot. Bonds6

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

2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109327308) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
PubChem CID109327308
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C21H21N5O2/c1-14-11-19(20(28)22-13-16-7-4-3-5-8-16)26-21(23-14)25-18-10-6-9-17(12-18)24-15(2)27/h3-12H,13H2,1-2H3,(H,22,28)(H,24,27)(H,23,25,26)
InChIKeyZKPJMUMATPWJSX-UHFFFAOYSA-N
XLogP3.42
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-acetamidoanilino)-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-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327539
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
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
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
2-(3-cyanoanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327983
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide (CID 109327308) is 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2nc(C)cc(C(=O)NCc3ccccc3)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZKPJMUMATPWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-11-19(20(28)22-13-16-7-4-3-5-8-16)26-21(23-14)25-18-10-6-9-17(12-18)24-15(2)27/h3-12H,13H2,1-2H3,(H,22,28)(H,24,27)(H,23,25,26).
What are the key properties of 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).