N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine

C16H21N5O2S — CID 95837598

IUPACN-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESCc1cccnc1Nc1nccc([C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H21N5O2S/c1-12-5-3-8-17-15(12)20-16-18-9-7-14(19-16)13-6-4-10-21(11-13)24(2,22)23/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyCHDSISXGTVSXCL-ZDUSSCGKSA-N
MW347.44 g/mol
LogP2.06
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine

N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 95837598) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID95837598
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESCc1cccnc1Nc1nccc([C@H]2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H21N5O2S/c1-12-5-3-8-17-15(12)20-16-18-9-7-14(19-16)13-6-4-10-21(11-13)24(2,22)23/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyCHDSISXGTVSXCL-ZDUSSCGKSA-N
XLogP2.06
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-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

4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110268414
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663
2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
N-(3-methyl-2-pyridinyl)-6-(1-morpholin-4-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110265497
4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110089633
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine (CID 95837598) is N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine is Cc1cccnc1Nc1nccc([C@H]2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is CHDSISXGTVSXCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-12-5-3-8-17-15(12)20-16-18-9-7-14(19-16)13-6-4-10-21(11-13)24(2,22)23/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine?
N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95837598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).