2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide

C18H24N4O — CID 133254873

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-8-12(2)19-17(23)15-9-6-7-10-16(15)22-18-20-13(3)11-14(4)21-18/h6-7,9-12H,5,8H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyJGNIJQFQLPMSNV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.76
Rot. Bonds6

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide (PubChem CID 133254873) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide
PubChem CID133254873
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-8-12(2)19-17(23)15-9-6-7-10-16(15)22-18-20-13(3)11-14(4)21-18/h6-7,9-12H,5,8H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyJGNIJQFQLPMSNV-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide 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-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 100779285
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779345
N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779489
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100778918
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide (CID 133254873) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccccc1Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide?
The InChIKey is JGNIJQFQLPMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-8-12(2)19-17(23)15-9-6-7-10-16(15)22-18-20-13(3)11-14(4)21-18/h6-7,9-12H,5,8H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide has a molecular weight of 312.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 133254873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).