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

C17H23N5O2S — CID 95551754

IUPACN-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1ccccn1)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1
InChIInChI=1S/C17H23N5O2S/c1-22(12-14-7-3-4-9-19-14)17-20-11-15(25(2,23)24)16(21-17)13-6-5-8-18-10-13/h3-4,7,9,11,13,18H,5-6,8,10,12H2,1-2H3/t13-/m0/s1
InChIKeyQQRRDHNURFFPCT-ZDUSSCGKSA-N
MW361.47 g/mol
LogP1.38
Rot. Bonds5

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

N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 95551754) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID95551754
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1ccccn1)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1
InChIInChI=1S/C17H23N5O2S/c1-22(12-14-7-3-4-9-19-14)17-20-11-15(25(2,23)24)16(21-17)13-6-5-8-18-10-13/h3-4,7,9,11,13,18H,5-6,8,10,12H2,1-2H3/t13-/m0/s1
InChIKeyQQRRDHNURFFPCT-ZDUSSCGKSA-N
XLogP1.38
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154886844
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
N,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 56918134
N-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95894083
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
2-(3-methylbutyl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95525185
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 70736895
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 95551754) is N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CN(Cc1ccccn1)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1.
What is the InChIKey of N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is QQRRDHNURFFPCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-22(12-14-7-3-4-9-19-14)17-20-11-15(25(2,23)24)16(21-17)13-6-5-8-18-10-13/h3-4,7,9,11,13,18H,5-6,8,10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 361.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 95551754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).