6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine

C11H14ClF2N3O2S — CID 139300256

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H14ClF2N3O2S/c1-20(18,19)10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7/h6-7H,2-5H2,1H3,(H,15,16,17)
InChIKeyAIFAUDJANQJFER-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.52
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine (PubChem CID 139300256) has the molecular formula C11H14ClF2N3O2S and a molecular weight of 325.77 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine
PubChem CID139300256
Molecular FormulaC11H14ClF2N3O2S
Molecular Weight325.77 g/mol
Exact Mass325.05
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H14ClF2N3O2S/c1-20(18,19)10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7/h6-7H,2-5H2,1H3,(H,15,16,17)
InChIKeyAIFAUDJANQJFER-UHFFFAOYSA-N
XLogP2.52
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine (CID 139300256) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is AIFAUDJANQJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O2S/c1-20(18,19)10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7/h6-7H,2-5H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 325.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 139300256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).