4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine

C15H19N5O2S — CID 95837595

IUPAC4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C15H19N5O2S/c1-23(21,22)20-11-5-3-6-13(20)12-8-10-17-15(18-12)19-14-7-2-4-9-16-14/h2,4,7-10,13H,3,5-6,11H2,1H3,(H,16,17,18,19)/t13-/m1/s1
InChIKeyNXRRUWCEMAKTOI-CYBMUJFWSA-N
MW333.42 g/mol
LogP2.10
Rot. Bonds4

About 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine

4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 95837595) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID95837595
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C15H19N5O2S/c1-23(21,22)20-11-5-3-6-13(20)12-8-10-17-15(18-12)19-14-7-2-4-9-16-14/h2,4,7-10,13H,3,5-6,11H2,1H3,(H,16,17,18,19)/t13-/m1/s1
InChIKeyNXRRUWCEMAKTOI-CYBMUJFWSA-N
XLogP2.10
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
CID 95837886
4-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837996
4-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837666
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine (CID 95837595) is 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine is CS(=O)(=O)N1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1.
What is the InChIKey of 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is NXRRUWCEMAKTOI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-23(21,22)20-11-5-3-6-13(20)12-8-10-17-15(18-12)19-14-7-2-4-9-16-14/h2,4,7-10,13H,3,5-6,11H2,1H3,(H,16,17,18,19)/t13-/m1/s1.
What are the key properties of 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine?
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 333.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95837595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).