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

2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55065185
2-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 114769418
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 83077019
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250
3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
CID 81038239
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80920019
6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine-4-carboxylic acid
CID 107555126
2-tert-butyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 133331569
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341

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).