6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine

C15H19N3O2S — CID 99630196

IUPAC6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)C[C@H](C)Nc2cc(C)ncn2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-4-6-14(7-5-11)21(19,20)9-13(3)18-15-8-12(2)16-10-17-15/h4-8,10,13H,9H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyYAJJUAUQAKPKAB-ZDUSSCGKSA-N
MW305.40 g/mol
LogP2.37
Rot. Bonds5

About 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine

6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine (PubChem CID 99630196) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine
PubChem CID99630196
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)C[C@H](C)Nc2cc(C)ncn2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-4-6-14(7-5-11)21(19,20)9-13(3)18-15-8-12(2)16-10-17-15/h4-8,10,13H,9H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyYAJJUAUQAKPKAB-ZDUSSCGKSA-N
XLogP2.37
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile
CID 86816236
1-methyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86816235
6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 115417074
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
5-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 64642249
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 86816542
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
N-but-3-en-2-yl-6-methylpyrimidin-4-amine
CID 115691966
2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
CID 147314995
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine (CID 99630196) is 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)C[C@H](C)Nc2cc(C)ncn2)cc1.
What is the InChIKey of 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine?
The InChIKey is YAJJUAUQAKPKAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-4-6-14(7-5-11)21(19,20)9-13(3)18-15-8-12(2)16-10-17-15/h4-8,10,13H,9H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine?
6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 99630196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).