5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

C19H33N5O2S — CID 95867078

IUPAC5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1(C)CC(Nc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)CC(C)(C)N1
InChIInChI=1S/C19H33N5O2S/c1-18(2)9-14(10-19(3,4)24-18)22-17-21-12-15(27(5,25)26)16(23-17)13-7-6-8-20-11-13/h12-14,20,24H,6-11H2,1-5H3,(H,21,22,23)/t13-/m0/s1
InChIKeyIOARIUPGQQRELT-ZDUSSCGKSA-N
MW395.57 g/mol
LogP2.07
Rot. Bonds4

About 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 95867078) has the molecular formula C19H33N5O2S and a molecular weight of 395.57 g/mol. Its IUPAC name is 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID95867078
Molecular FormulaC19H33N5O2S
Molecular Weight395.57 g/mol
Exact Mass395.24
IUPAC Name5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC1(C)CC(Nc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)CC(C)(C)N1
InChIInChI=1S/C19H33N5O2S/c1-18(2)9-14(10-19(3,4)24-18)22-17-21-12-15(27(5,25)26)16(23-17)13-7-6-8-20-11-13/h12-14,20,24H,6-11H2,1-5H3,(H,21,22,23)/t13-/m0/s1
InChIKeyIOARIUPGQQRELT-ZDUSSCGKSA-N
XLogP2.07
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

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
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
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,N-diethyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 56918134
1-methyl-4-[[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]methyl]piperidin-4-ol
CID 70779319
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 95874828
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 70716018

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (CID 95867078) is 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is CC1(C)CC(Nc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)CC(C)(C)N1.
What is the InChIKey of 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is IOARIUPGQQRELT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H33N5O2S/c1-18(2)9-14(10-19(3,4)24-18)22-17-21-12-15(27(5,25)26)16(23-17)13-7-6-8-20-11-13/h12-14,20,24H,6-11H2,1-5H3,(H,21,22,23)/t13-/m0/s1.
What are the key properties of 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 395.57 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 95867078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).