6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H13ClF3N3S — CID 114123826

IUPAC6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13ClF3N3S/c1-19-7-3-2-6(4-7)16-9-5-8(12)17-10(18-9)11(13,14)15/h5-7H,2-4H2,1H3,(H,16,17,18)
InChIKeyMFJMJNMKONENPZ-UHFFFAOYSA-N
MW311.76 g/mol
LogP3.84
Rot. Bonds3

About 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114123826) has the molecular formula C11H13ClF3N3S and a molecular weight of 311.76 g/mol. Its IUPAC name is 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114123826
Molecular FormulaC11H13ClF3N3S
Molecular Weight311.76 g/mol
Exact Mass311.05
IUPAC Name6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13ClF3N3S/c1-19-7-3-2-6(4-7)16-9-5-8(12)17-10(18-9)11(13,14)15/h5-7H,2-4H2,1H3,(H,16,17,18)
InChIKeyMFJMJNMKONENPZ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 114123826) is 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is CSC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MFJMJNMKONENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3S/c1-19-7-3-2-6(4-7)16-9-5-8(12)17-10(18-9)11(13,14)15/h5-7H,2-4H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 311.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylsulfanylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114123826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).