2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine

C10H6ClF3N4S — CID 114563028

IUPAC2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cnc(Sc2cc(C(F)(F)F)nc(Cl)n2)nc1
InChIInChI=1S/C10H6ClF3N4S/c1-5-3-15-9(16-4-5)19-7-2-6(10(12,13)14)17-8(11)18-7/h2-4H,1H3
InChIKeyOPKJHMOGKCKPFJ-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.40
Rot. Bonds2

About 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine

2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 114563028) has the molecular formula C10H6ClF3N4S and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID114563028
Molecular FormulaC10H6ClF3N4S
Molecular Weight306.70 g/mol
Exact Mass306.00
IUPAC Name2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cnc(Sc2cc(C(F)(F)F)nc(Cl)n2)nc1
InChIInChI=1S/C10H6ClF3N4S/c1-5-3-15-9(16-4-5)19-7-2-6(10(12,13)14)17-8(11)18-7/h2-4H,1H3
InChIKeyOPKJHMOGKCKPFJ-UHFFFAOYSA-N
XLogP3.40
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-3-methyl-1,2,4-thiadiazole
CID 114563065
2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563044
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114563049
2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80892120
2-chloro-4-(4-nitrophenyl)sulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563010
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-benzimidazole
CID 114562998
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55080424
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
5-methyl-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidine
CID 157058783
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine (CID 114563028) is 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine is Cc1cnc(Sc2cc(C(F)(F)F)nc(Cl)n2)nc1.
What is the InChIKey of 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is OPKJHMOGKCKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4S/c1-5-3-15-9(16-4-5)19-7-2-6(10(12,13)14)17-8(11)18-7/h2-4H,1H3.
What are the key properties of 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 306.70 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-methylpyrimidin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).