6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine

C16H21N5O2S — CID 110269570

IUPAC6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C16H21N5O2S/c1-12-11-15(19-14-8-3-5-9-17-14)20-16(18-12)13-7-4-6-10-21(13)24(2,22)23/h3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,17,18,19,20)
InChIKeyCNBFWQZUBUHYCS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.41
Rot. Bonds4

About 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine

6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 110269570) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID110269570
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C16H21N5O2S/c1-12-11-15(19-14-8-3-5-9-17-14)20-16(18-12)13-7-4-6-10-21(13)24(2,22)23/h3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,17,18,19,20)
InChIKeyCNBFWQZUBUHYCS-UHFFFAOYSA-N
XLogP2.41
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine (CID 110269570) is 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine is Cc1cc(Nc2ccccn2)nc(C2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is CNBFWQZUBUHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-12-11-15(19-14-8-3-5-9-17-14)20-16(18-12)13-7-4-6-10-21(13)24(2,22)23/h3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine?
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110269570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).