6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

C11H13ClF3N3S — CID 59405052

IUPAC6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)c(C(F)(F)F)c(NC2CCCC2)n1
InChIInChI=1S/C11H13ClF3N3S/c1-19-10-17-8(12)7(11(13,14)15)9(18-10)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,17,18)
InChIKeyOKFPPYRGJXTXJN-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.23
Rot. Bonds3

About 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 59405052) has the molecular formula C11H13ClF3N3S and a molecular weight of 311.76 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID59405052
Molecular FormulaC11H13ClF3N3S
Molecular Weight311.76 g/mol
Exact Mass311.05
IUPAC Name6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)c(C(F)(F)F)c(NC2CCCC2)n1
InChIInChI=1S/C11H13ClF3N3S/c1-19-10-17-8(12)7(11(13,14)15)9(18-10)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,17,18)
InChIKeyOKFPPYRGJXTXJN-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 59405052) is 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is CSc1nc(Cl)c(C(F)(F)F)c(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OKFPPYRGJXTXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3S/c1-19-10-17-8(12)7(11(13,14)15)9(18-10)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 311.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 59405052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).