5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine

C15H22N6O2S — CID 70716018

IUPAC5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCCn2cccn2)nc1C1CCCNC1
InChIInChI=1S/C15H22N6O2S/c1-24(22,23)13-11-18-15(17-7-9-21-8-3-6-19-21)20-14(13)12-4-2-5-16-10-12/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3,(H,17,18,20)
InChIKeyMAAAMAOCYAIVRQ-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.66
Rot. Bonds6

About 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine

5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine (PubChem CID 70716018) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
PubChem CID70716018
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCCn2cccn2)nc1C1CCCNC1
InChIInChI=1S/C15H22N6O2S/c1-24(22,23)13-11-18-15(17-7-9-21-8-3-6-19-21)20-14(13)12-4-2-5-16-10-12/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3,(H,17,18,20)
InChIKeyMAAAMAOCYAIVRQ-UHFFFAOYSA-N
XLogP0.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-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-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one
CID 70735139
5-methylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-3-ylpyrimidin-2-amine
CID 70753406
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 70736895
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
N-[(3-ethylimidazol-4-yl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70712491
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-pyrazol-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine (CID 70716018) is 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine is CS(=O)(=O)c1cnc(NCCn2cccn2)nc1C1CCCNC1.
What is the InChIKey of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
The InChIKey is MAAAMAOCYAIVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-24(22,23)13-11-18-15(17-7-9-21-8-3-6-19-21)20-14(13)12-4-2-5-16-10-12/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3,(H,17,18,20).
What are the key properties of 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine?
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine has a molecular weight of 350.45 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 70716018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).