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

C27H26N4O — CID 72724711

IUPAC4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1Cc1ccccc1
InChIInChI=1S/C27H26N4O/c1-18-8-7-9-19(2)25(18)31-26(32)22-12-14-23(15-13-22)29-27-28-17-20(3)24(30-27)16-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3,(H,31,32)(H,28,29,30)
InChIKeyFTQAJUPQIMHTNT-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.99
Rot. Bonds6

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

4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide (PubChem CID 72724711) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
PubChem CID72724711
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1Cc1ccccc1
InChIInChI=1S/C27H26N4O/c1-18-8-7-9-19(2)25(18)31-26(32)22-12-14-23(15-13-22)29-27-28-17-20(3)24(30-27)16-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3,(H,31,32)(H,28,29,30)
InChIKeyFTQAJUPQIMHTNT-UHFFFAOYSA-N
XLogP5.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide (CID 72724711) is 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1Cc1ccccc1.
What is the InChIKey of 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is FTQAJUPQIMHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-18-8-7-9-19(2)25(18)31-26(32)22-12-14-23(15-13-22)29-27-28-17-20(3)24(30-27)16-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3,(H,31,32)(H,28,29,30).
What are the key properties of 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide?
4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzyl-5-methylpyrimidin-2-yl)amino]-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 72724711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).