4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide

C23H24N4O — CID 72724709

IUPAC4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C1CC1
InChIInChI=1S/C23H24N4O/c1-14-5-4-6-15(2)20(14)26-22(28)18-9-11-19(12-10-18)25-23-24-13-16(3)21(27-23)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyGXQPSIZLNSOJMZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.28
Rot. Bonds5

About 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide

4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide (PubChem CID 72724709) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
PubChem CID72724709
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C1CC1
InChIInChI=1S/C23H24N4O/c1-14-5-4-6-15(2)20(14)26-22(28)18-9-11-19(12-10-18)25-23-24-13-16(3)21(27-23)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyGXQPSIZLNSOJMZ-UHFFFAOYSA-N
XLogP5.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide (CID 72724709) is 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C1CC1.
What is the InChIKey of 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is GXQPSIZLNSOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14-5-4-6-15(2)20(14)26-22(28)18-9-11-19(12-10-18)25-23-24-13-16(3)21(27-23)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H,26,28)(H,24,25,27).
What are the key properties of 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 72724709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).