2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine

C16H11F3N2S — CID 134201964

IUPAC2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(-c2cccc3ccccc23)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F3N2S/c1-22-15-20-13(9-14(21-15)16(17,18)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeyRIFIKCJJSRXYMP-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.04
Rot. Bonds2

About 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine

2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 134201964) has the molecular formula C16H11F3N2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID134201964
Molecular FormulaC16H11F3N2S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC Name2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(-c2cccc3ccccc23)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F3N2S/c1-22-15-20-13(9-14(21-15)16(17,18)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeyRIFIKCJJSRXYMP-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 138620844
2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 71431274
[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
CID 10804142
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]sulfanylphenyl]-4,6-dinaphthalen-1-ylpyrimidine
CID 140905007
2-(2,3-difluorophenyl)-4-fluoro-6-(trifluoromethyl)pyridine
CID 133089017
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
5-naphthalen-1-yl-3-(trifluoromethyl)pyrazole-1-carbonitrile
CID 175223219
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
(2S)-N-benzyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152152
8-phenyl-2-(trifluoromethyl)quinolin-4-amine
CID 62204120

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine (CID 134201964) is 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine is CSc1nc(-c2cccc3ccccc23)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is RIFIKCJJSRXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2S/c1-22-15-20-13(9-14(21-15)16(17,18)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3.
What are the key properties of 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine?
2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 320.34 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134201964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).