4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide

C23H26N4O — CID 100778918

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1
InChIInChI=1S/C23H26N4O/c1-16(9-10-19-7-5-4-6-8-19)24-22(28)20-11-13-21(14-12-20)27-23-25-17(2)15-18(3)26-23/h4-8,11-16H,9-10H2,1-3H3,(H,24,28)(H,25,26,27)/t16-/m0/s1
InChIKeyZEYJJPTVWXDVGV-INIZCTEOSA-N
MW374.49 g/mol
LogP4.59
Rot. Bonds7

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 100778918) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID100778918
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1
InChIInChI=1S/C23H26N4O/c1-16(9-10-19-7-5-4-6-8-19)24-22(28)20-11-13-21(14-12-20)27-23-25-17(2)15-18(3)26-23/h4-8,11-16H,9-10H2,1-3H3,(H,24,28)(H,25,26,27)/t16-/m0/s1
InChIKeyZEYJJPTVWXDVGV-INIZCTEOSA-N
XLogP4.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 110205774
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide
CID 91822378
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-phenylbutan-2-yl)benzamide
CID 46327336
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 100778918) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is ZEYJJPTVWXDVGV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(9-10-19-7-5-4-6-8-19)24-22(28)20-11-13-21(14-12-20)27-23-25-17(2)15-18(3)26-23/h4-8,11-16H,9-10H2,1-3H3,(H,24,28)(H,25,26,27)/t16-/m0/s1.
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 100778918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).