4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine

C11H16ClN3O2S — CID 71639181

IUPAC4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine
SMILESCc1cc(Cl)nc(S(=O)(=O)CC2CCNCC2)n1
InChIInChI=1S/C11H16ClN3O2S/c1-8-6-10(12)15-11(14-8)18(16,17)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeySWTHFQIFZXTACG-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.21
Rot. Bonds3

About 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine

4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine (PubChem CID 71639181) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine
PubChem CID71639181
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine
SMILESCc1cc(Cl)nc(S(=O)(=O)CC2CCNCC2)n1
InChIInChI=1S/C11H16ClN3O2S/c1-8-6-10(12)15-11(14-8)18(16,17)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeySWTHFQIFZXTACG-UHFFFAOYSA-N
XLogP1.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine (CID 71639181) is 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine is Cc1cc(Cl)nc(S(=O)(=O)CC2CCNCC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine?
The InChIKey is SWTHFQIFZXTACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-8-6-10(12)15-11(14-8)18(16,17)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine?
4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine has a molecular weight of 289.79 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine is sourced from PubChem (CID 71639181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).