5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

C17H23N5O2S — CID 70736895

IUPAC5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCCc2cccnc2)nc1C1CCCNC1
InChIInChI=1S/C17H23N5O2S/c1-25(23,24)15-12-21-17(20-9-6-13-4-2-7-18-10-13)22-16(15)14-5-3-8-19-11-14/h2,4,7,10,12,14,19H,3,5-6,8-9,11H2,1H3,(H,20,21,22)
InChIKeyFAQIBCSWWMLXAX-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.40
Rot. Bonds6

About 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 70736895) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID70736895
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCCc2cccnc2)nc1C1CCCNC1
InChIInChI=1S/C17H23N5O2S/c1-25(23,24)15-12-21-17(20-9-6-13-4-2-7-18-10-13)22-16(15)14-5-3-8-19-11-14/h2,4,7,10,12,14,19H,3,5-6,8-9,11H2,1H3,(H,20,21,22)
InChIKeyFAQIBCSWWMLXAX-UHFFFAOYSA-N
XLogP1.40
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
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
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
5-methylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-3-ylpyrimidin-2-amine
CID 70753406
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 95893655
N-[(3,4-difluorophenyl)methyl]-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95862886
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (CID 70736895) is 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is CS(=O)(=O)c1cnc(NCCc2cccnc2)nc1C1CCCNC1.
What is the InChIKey of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is FAQIBCSWWMLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-25(23,24)15-12-21-17(20-9-6-13-4-2-7-18-10-13)22-16(15)14-5-3-8-19-11-14/h2,4,7,10,12,14,19H,3,5-6,8-9,11H2,1H3,(H,20,21,22).
What are the key properties of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 361.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 70736895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).