N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine

C11H14F3N3OS — CID 141160243

IUPACN-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)c1ncc(C(F)(F)F)c(NC2CCCC2)n1
InChIInChI=1S/C11H14F3N3OS/c1-19(18)10-15-6-8(11(12,13)14)9(17-10)16-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,16,17)
InChIKeyYONJDJCPWDDOJZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.59
Rot. Bonds3

About N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine

N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141160243) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141160243
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)c1ncc(C(F)(F)F)c(NC2CCCC2)n1
InChIInChI=1S/C11H14F3N3OS/c1-19(18)10-15-6-8(11(12,13)14)9(17-10)16-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,16,17)
InChIKeyYONJDJCPWDDOJZ-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 141160243) is N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine is CS(=O)c1ncc(C(F)(F)F)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YONJDJCPWDDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-19(18)10-15-6-8(11(12,13)14)9(17-10)16-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141160243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).