3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide

C13H14N4O — CID 153321752

IUPAC3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(N)=O)cc2C)nc1
InChIInChI=1S/C13H14N4O/c1-8-6-15-13(16-7-8)17-11-4-3-10(12(14)18)5-9(11)2/h3-7H,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyGKLFFSIMCKMXIH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.94
Rot. Bonds3

About 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide

3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide (PubChem CID 153321752) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
PubChem CID153321752
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(N)=O)cc2C)nc1
InChIInChI=1S/C13H14N4O/c1-8-6-15-13(16-7-8)17-11-4-3-10(12(14)18)5-9(11)2/h3-7H,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyGKLFFSIMCKMXIH-UHFFFAOYSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide 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

4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-(chloromethylsulfonylamino)-3-methylbenzamide
CID 63666829
N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
CID 116648838
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbenzamide
CID 107337787
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 167779651
4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
CID 43706737

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide (CID 153321752) is 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide is Cc1cnc(Nc2ccc(C(N)=O)cc2C)nc1.
What is the InChIKey of 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide?
The InChIKey is GKLFFSIMCKMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-6-15-13(16-7-8)17-11-4-3-10(12(14)18)5-9(11)2/h3-7H,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide?
3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 153321752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).