2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine

C11H8ClF3N4S — CID 106768702

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

About 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine (PubChem CID 106768702) has the molecular formula C11H8ClF3N4S and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine
PubChem CID106768702
Molecular FormulaC11H8ClF3N4S
Molecular Weight320.73 g/mol
Exact Mass320.01
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H8ClF3N4S/c1-5-3-6(2)17-10(16-5)20-8-4-7(12)18-9(19-8)11(13,14)15/h3-4H,1-2H3
InChIKeyVNCRXSKMLKDIMO-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-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine (CID 106768702) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine is Cc1cc(C)nc(Sc2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine?
The InChIKey is VNCRXSKMLKDIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4S/c1-5-3-6(2)17-10(16-5)20-8-4-7(12)18-9(19-8)11(13,14)15/h3-4H,1-2H3.
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine 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-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 106768702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).