2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine

C11H7ClF3N3S — CID 55080424

IUPAC2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESCc1cc(Sc2ccc(C(F)(F)F)cn2)nc(Cl)n1
InChIInChI=1S/C11H7ClF3N3S/c1-6-4-9(18-10(12)17-6)19-8-3-2-7(5-16-8)11(13,14)15/h2-5H,1H3
InChIKeyXUYGMWFWKPVBBH-UHFFFAOYSA-N
MW305.71 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine

2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (PubChem CID 55080424) has the molecular formula C11H7ClF3N3S and a molecular weight of 305.71 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
PubChem CID55080424
Molecular FormulaC11H7ClF3N3S
Molecular Weight305.71 g/mol
Exact Mass305.00
IUPAC Name2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESCc1cc(Sc2ccc(C(F)(F)F)cn2)nc(Cl)n1
InChIInChI=1S/C11H7ClF3N3S/c1-6-4-9(18-10(12)17-6)19-8-3-2-7(5-16-8)11(13,14)15/h2-5H,1H3
InChIKeyXUYGMWFWKPVBBH-UHFFFAOYSA-N
XLogP4.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tasuldine
CID 65666
4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine
CID 11460152
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
CID 3740868
4-((Methylsulfinyl)methyl)-6-(phenylsulfanyl)-2-(4-pyridinyl)pyrimidine
CID 4601256
2-Pyridin-2-ylsulfanylpyrimidine
CID 100517
4-Benzylsulfanyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
CID 2725999
4-(3,4-Difluorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11370077
4,6-Dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine
CID 652518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (CID 55080424) is 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is Cc1cc(Sc2ccc(C(F)(F)F)cn2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The InChIKey is XUYGMWFWKPVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3S/c1-6-4-9(18-10(12)17-6)19-8-3-2-7(5-16-8)11(13,14)15/h2-5H,1H3.
What are the key properties of 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine has a molecular weight of 305.71 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is sourced from PubChem (CID 55080424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).