2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine

C11H8ClF3N4S — CID 114563032

IUPAC2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)nc(Sc2cc(C(F)(F)F)nc(Cl)n2)n1
InChIInChI=1S/C11H8ClF3N4S/c1-5-3-6(2)17-10(16-5)20-8-4-7(11(13,14)15)18-9(12)19-8/h3-4H,1-2H3
InChIKeyAZANWVPGJKEBFY-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.71
Rot. Bonds2

About 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine

2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 114563032) has the molecular formula C11H8ClF3N4S and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID114563032
Molecular FormulaC11H8ClF3N4S
Molecular Weight320.73 g/mol
Exact Mass320.01
IUPAC Name2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)nc(Sc2cc(C(F)(F)F)nc(Cl)n2)n1
InChIInChI=1S/C11H8ClF3N4S/c1-5-3-6(2)17-10(16-5)20-8-4-7(11(13,14)15)18-9(12)19-8/h3-4H,1-2H3
InChIKeyAZANWVPGJKEBFY-UHFFFAOYSA-N
XLogP3.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine (CID 114563032) is 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C)nc(Sc2cc(C(F)(F)F)nc(Cl)n2)n1.
What is the InChIKey of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is AZANWVPGJKEBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4S/c1-5-3-6(2)17-10(16-5)20-8-4-7(11(13,14)15)18-9(12)19-8/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 320.73 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114563032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).