4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C22H24N4O2 — CID 110205774

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)N[C@H](CO)Cc3ccccc3)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-15-12-16(2)24-22(23-15)26-19-10-8-18(9-11-19)21(28)25-20(14-27)13-17-6-4-3-5-7-17/h3-12,20,27H,13-14H2,1-2H3,(H,25,28)(H,23,24,26)/t20-/m0/s1
InChIKeyFBGVMOYGFJNBNE-FQEVSTJZSA-N
MW376.46 g/mol
LogP3.17
Rot. Bonds7

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 110205774) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID110205774
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)N[C@H](CO)Cc3ccccc3)cc2)n1
InChIInChI=1S/C22H24N4O2/c1-15-12-16(2)24-22(23-15)26-19-10-8-18(9-11-19)21(28)25-20(14-27)13-17-6-4-3-5-7-17/h3-12,20,27H,13-14H2,1-2H3,(H,25,28)(H,23,24,26)/t20-/m0/s1
InChIKeyFBGVMOYGFJNBNE-FQEVSTJZSA-N
XLogP3.17
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100778918
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide
CID 91822378
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 20666691

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 110205774) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H](CO)Cc3ccccc3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is FBGVMOYGFJNBNE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-12-16(2)24-22(23-15)26-19-10-8-18(9-11-19)21(28)25-20(14-27)13-17-6-4-3-5-7-17/h3-12,20,27H,13-14H2,1-2H3,(H,25,28)(H,23,24,26)/t20-/m0/s1.
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 110205774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).