3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

C18H16N4O — CID 108797307

IUPAC3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(N)=O)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O/c1-12-20-16(13-6-3-2-4-7-13)11-17(21-12)22-15-9-5-8-14(10-15)18(19)23/h2-11H,1H3,(H2,19,23)(H,20,21,22)
InChIKeyZQSXHKBAGOKWLO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.29
Rot. Bonds4

About 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 108797307) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID108797307
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(N)=O)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O/c1-12-20-16(13-6-3-2-4-7-13)11-17(21-12)22-15-9-5-8-14(10-15)18(19)23/h2-11H,1H3,(H2,19,23)(H,20,21,22)
InChIKeyZQSXHKBAGOKWLO-UHFFFAOYSA-N
XLogP3.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
N-(1-adamantyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797289
N-(2,4-difluorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808397
2-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 108808375

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (CID 108797307) is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is Cc1nc(Nc2cccc(C(N)=O)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is ZQSXHKBAGOKWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-20-16(13-6-3-2-4-7-13)11-17(21-12)22-15-9-5-8-14(10-15)18(19)23/h2-11H,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 304.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 108797307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).