2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine

C16H21N5O2S — CID 155682204

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCS(=O)(=O)c1cccc(Nc2ccnc(N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C16H21N5O2S/c1-24(22,23)14-6-2-5-13(10-14)19-15-7-8-18-16(20-15)21-9-3-4-12(17)11-21/h2,5-8,10,12H,3-4,9,11,17H2,1H3,(H,18,19,20)/t12-/m0/s1
InChIKeyGBGZEYYJIUDMCW-LBPRGKRZSA-N
MW347.44 g/mol
LogP1.55
Rot. Bonds4

About 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine

2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 155682204) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine
PubChem CID155682204
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCS(=O)(=O)c1cccc(Nc2ccnc(N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C16H21N5O2S/c1-24(22,23)14-6-2-5-13(10-14)19-15-7-8-18-16(20-15)21-9-3-4-12(17)11-21/h2,5-8,10,12H,3-4,9,11,17H2,1H3,(H,18,19,20)/t12-/m0/s1
InChIKeyGBGZEYYJIUDMCW-LBPRGKRZSA-N
XLogP1.55
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
CID 112638532
2-(3-aminopiperidin-1-yl)-4-(3-methylanilino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 53251954
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134799885
3-[[2-(4-ethoxycarbonylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193714
4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 25011729
[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 134798553
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898349
6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine
CID 170533665
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-[(3S,5R)-3,5-dimethylmorpholine-4-carbonyl]anilino]pyrimidine-5-carboxamide;hydrochloride
CID 155682141

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine (CID 155682204) is 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine is CS(=O)(=O)c1cccc(Nc2ccnc(N3CCC[C@H](N)C3)n2)c1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is GBGZEYYJIUDMCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-24(22,23)14-6-2-5-13(10-14)19-15-7-8-18-16(20-15)21-9-3-4-12(17)11-21/h2,5-8,10,12H,3-4,9,11,17H2,1H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine?
2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-N-(3-methylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 155682204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).