2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine

C10H10ClF3N2S — CID 114563044

IUPAC2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(SC2CCCC2)nc(Cl)n1
InChIInChI=1S/C10H10ClF3N2S/c11-9-15-7(10(12,13)14)5-8(16-9)17-6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyMXGXIYFNGGOBFK-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.18
Rot. Bonds2

About 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine

2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 114563044) has the molecular formula C10H10ClF3N2S and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID114563044
Molecular FormulaC10H10ClF3N2S
Molecular Weight282.72 g/mol
Exact Mass282.02
IUPAC Name2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(SC2CCCC2)nc(Cl)n1
InChIInChI=1S/C10H10ClF3N2S/c11-9-15-7(10(12,13)14)5-8(16-9)17-6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyMXGXIYFNGGOBFK-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716318
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964
2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563028
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721404
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114562285
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
CID 132564090
6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methyl-1,2,4-thiadiazole
CID 114563065
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 114563044) is 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(SC2CCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is MXGXIYFNGGOBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2S/c11-9-15-7(10(12,13)14)5-8(16-9)17-6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine?
2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 282.72 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114563044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).