4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

C7H7F3N2S — CID 10375758

IUPAC4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2S/c1-4-3-5(7(8,9)10)12-6(11-4)13-2/h3H,1-2H3
InChIKeyZHIOJNAKLYZWDI-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.53
Rot. Bonds1

About 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 10375758) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID10375758
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2S/c1-4-3-5(7(8,9)10)12-6(11-4)13-2/h3H,1-2H3
InChIKeyZHIOJNAKLYZWDI-UHFFFAOYSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
CID 736679
2,4-Difluoro-6-methylpyrimidine
CID 336951
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
CID 610353
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248063
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
4-Iodo-6-methyl-2-methylthio-pyrimidine
CID 2736660
4,6-Dimethyl-2-methylsulfonylpyrimidine
CID 2772382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 10375758) is 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is CSc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZHIOJNAKLYZWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-4-3-5(7(8,9)10)12-6(11-4)13-2/h3H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 208.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 10375758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).