4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C19H18N4O — CID 20997773

IUPAC4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccc(C(N)=O)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H18N4O/c1-12-3-5-14(6-4-12)17-11-18(22-13(2)21-17)23-16-9-7-15(8-10-16)19(20)24/h3-11H,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyJVRKXQHRTZVFFG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.60
Rot. Bonds4

About 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 20997773) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID20997773
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccc(C(N)=O)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H18N4O/c1-12-3-5-14(6-4-12)17-11-18(22-13(2)21-17)23-16-9-7-15(8-10-16)19(20)24/h3-11H,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyJVRKXQHRTZVFFG-UHFFFAOYSA-N
XLogP3.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
methyl 3-hydroxy-4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoate
CID 108778108
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193226
methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 20898989
ethyl 4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112872020
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 20997773) is 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2cc(Nc3ccc(C(N)=O)cc3)nc(C)n2)cc1.
What is the InChIKey of 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is JVRKXQHRTZVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-3-5-14(6-4-12)17-11-18(22-13(2)21-17)23-16-9-7-15(8-10-16)19(20)24/h3-11H,1-2H3,(H2,20,24)(H,21,22,23).
What are the key properties of 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 20997773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).