5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C16H21N5O2S — CID 95870418

IUPAC5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCc2ccccn2)nc1[C@@H]1CCCNC1
InChIInChI=1S/C16H21N5O2S/c1-24(22,23)14-11-20-16(19-10-13-6-2-3-8-18-13)21-15(14)12-5-4-7-17-9-12/h2-3,6,8,11-12,17H,4-5,7,9-10H2,1H3,(H,19,20,21)/t12-/m1/s1
InChIKeyVDELDSSNQZYONO-GFCCVEGCSA-N
MW347.44 g/mol
LogP1.35
Rot. Bonds5

About 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 95870418) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID95870418
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCc2ccccn2)nc1[C@@H]1CCCNC1
InChIInChI=1S/C16H21N5O2S/c1-24(22,23)14-11-20-16(19-10-13-6-2-3-8-18-13)21-15(14)12-5-4-7-17-9-12/h2-3,6,8,11-12,17H,4-5,7,9-10H2,1H3,(H,19,20,21)/t12-/m1/s1
InChIKeyVDELDSSNQZYONO-GFCCVEGCSA-N
XLogP1.35
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969
N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95551754
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154886844
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
N-[(3,4-difluorophenyl)methyl]-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95862886
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 70736895
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 70716018
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 95874828
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 95870418) is 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CS(=O)(=O)c1cnc(NCc2ccccn2)nc1[C@@H]1CCCNC1.
What is the InChIKey of 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is VDELDSSNQZYONO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-24(22,23)14-11-20-16(19-10-13-6-2-3-8-18-13)21-15(14)12-5-4-7-17-9-12/h2-3,6,8,11-12,17H,4-5,7,9-10H2,1H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 95870418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).