4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine

C11H16ClN3O2S — CID 95804534

IUPAC4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
SMILESCc1cc(Cl)nc([C@H]2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H16ClN3O2S/c1-8-7-10(12)14-11(13-8)9-5-3-4-6-15(9)18(2,16)17/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeySPTBHQCHJYYVTD-SECBINFHSA-N
MW289.79 g/mol
LogP1.93
Rot. Bonds2

About 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine

4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine (PubChem CID 95804534) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
PubChem CID95804534
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
SMILESCc1cc(Cl)nc([C@H]2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H16ClN3O2S/c1-8-7-10(12)14-11(13-8)9-5-3-4-6-15(9)18(2,16)17/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeySPTBHQCHJYYVTD-SECBINFHSA-N
XLogP1.93
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine (CID 95804534) is 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine is Cc1cc(Cl)nc([C@H]2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
The InChIKey is SPTBHQCHJYYVTD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-8-7-10(12)14-11(13-8)9-5-3-4-6-15(9)18(2,16)17/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine?
4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine has a molecular weight of 289.79 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine is sourced from PubChem (CID 95804534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).