N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C20H20N4O — CID 100779345

IUPACN-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccccc2C(=O)NCc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-14-12-15(2)23-20(22-14)24-18-11-7-6-10-17(18)19(25)21-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyOGPISEACMWJTRV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.77
Rot. Bonds5

About N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 100779345) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID100779345
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccccc2C(=O)NCc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-14-12-15(2)23-20(22-14)24-18-11-7-6-10-17(18)19(25)21-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyOGPISEACMWJTRV-UHFFFAOYSA-N
XLogP3.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(4,6-dimethylpyrimidin-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

N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
methyl 2-[[4-[(4-fluorophenyl)methylcarbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109328805
N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779489
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide
CID 133254873
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)thiourea
CID 19678097
2-(2-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330039
2-(2-bromoanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330078
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 100779345) is N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2ccccc2C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is OGPISEACMWJTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-12-15(2)23-20(22-14)24-18-11-7-6-10-17(18)19(25)21-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 100779345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).