N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

C14H22N4O2S — CID 70759893

IUPACN-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NC2CCC2)nc1C1CCCNC1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)12-9-16-14(17-11-5-2-6-11)18-13(12)10-4-3-7-15-8-10/h9-11,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyWVPDMYLPQJHKPS-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.31
Rot. Bonds4

About N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (PubChem CID 70759893) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
PubChem CID70759893
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NC2CCC2)nc1C1CCCNC1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)12-9-16-14(17-11-5-2-6-11)18-13(12)10-4-3-7-15-8-10/h9-11,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyWVPDMYLPQJHKPS-UHFFFAOYSA-N
XLogP1.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 95867078
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
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-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (CID 70759893) is N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is CS(=O)(=O)c1cnc(NC2CCC2)nc1C1CCCNC1.
What is the InChIKey of N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is WVPDMYLPQJHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-21(19,20)12-9-16-14(17-11-5-2-6-11)18-13(12)10-4-3-7-15-8-10/h9-11,15H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 310.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 70759893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).