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

C18H24N4O2S — CID 91822378

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(CO)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-12-10-13(2)20-18(19-12)22-15-6-4-14(5-7-15)17(24)21-16(11-23)8-9-25-3/h4-7,10,16,23H,8-9,11H2,1-3H3,(H,21,24)(H,19,20,22)
InChIKeyPTERJALMAVBRBF-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.68
Rot. Bonds8

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

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 91822378) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide
PubChem CID91822378
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(CO)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-12-10-13(2)20-18(19-12)22-15-6-4-14(5-7-15)17(24)21-16(11-23)8-9-25-3/h4-7,10,16,23H,8-9,11H2,1-3H3,(H,21,24)(H,19,20,22)
InChIKeyPTERJALMAVBRBF-UHFFFAOYSA-N
XLogP2.68
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 110205774
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100778918
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70747319
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796599
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(1-oxophthalazin-2-yl)benzamide
CID 91638773
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]benzamide
CID 108796521
4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
2-methylpropyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108796609

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide (CID 91822378) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide is CSCCC(CO)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is PTERJALMAVBRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-10-13(2)20-18(19-12)22-15-6-4-14(5-7-15)17(24)21-16(11-23)8-9-25-3/h4-7,10,16,23H,8-9,11H2,1-3H3,(H,21,24)(H,19,20,22).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 91822378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).