N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide

C26H24N4O — CID 72725630

IUPACN-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccccc1
InChIInChI=1S/C26H24N4O/c1-17-8-7-9-18(2)23(17)29-25(31)21-12-14-22(15-13-21)28-26-27-16-19(3)24(30-26)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyFMLHKAPHBJGWDQ-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.06
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide (PubChem CID 72725630) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide
PubChem CID72725630
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccccc1
InChIInChI=1S/C26H24N4O/c1-17-8-7-9-18(2)23(17)29-25(31)21-12-14-22(15-13-21)28-26-27-16-19(3)24(30-26)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyFMLHKAPHBJGWDQ-UHFFFAOYSA-N
XLogP6.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide (CID 72725630) is N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide?
The InChIKey is FMLHKAPHBJGWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17-8-7-9-18(2)23(17)29-25(31)21-12-14-22(15-13-21)28-26-27-16-19(3)24(30-26)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,29,31)(H,27,28,30).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide?
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide has a molecular weight of 408.51 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(5-methyl-4-phenylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 72725630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).