4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

C12H10F3N3OS — CID 138620844

IUPAC4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ncccc1-c1cc(C(F)(F)F)nc(SC)n1
InChIInChI=1S/C12H10F3N3OS/c1-19-10-7(4-3-5-16-10)8-6-9(12(13,14)15)18-11(17-8)20-2/h3-6H,1-2H3
InChIKeyBSPLRFFTKLNNLU-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.29
Rot. Bonds3

About 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 138620844) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID138620844
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ncccc1-c1cc(C(F)(F)F)nc(SC)n1
InChIInChI=1S/C12H10F3N3OS/c1-19-10-7(4-3-5-16-10)8-6-9(12(13,14)15)18-11(17-8)20-2/h3-6H,1-2H3
InChIKeyBSPLRFFTKLNNLU-UHFFFAOYSA-N
XLogP3.29
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 175801513
2-methylsulfanyl-4-naphthalen-1-yl-6-(trifluoromethyl)pyrimidine
CID 134201964
4-(6-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 134201944
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 71431274
3-[bromo(difluoro)methyl]sulfanyl-2-methoxypyridine
CID 174864997
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
CID 131981623
methyl 2-[[2,6-bis(trifluoromethyl)pyridine-4-carbonyl]-[4-(2-methoxy-3-pyridinyl)-3-pyridinyl]amino]acetate
CID 86670785
[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-phenylmethanol
CID 10804142
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 138620844) is 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is COc1ncccc1-c1cc(C(F)(F)F)nc(SC)n1.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is BSPLRFFTKLNNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-19-10-7(4-3-5-16-10)8-6-9(12(13,14)15)18-11(17-8)20-2/h3-6H,1-2H3.
What are the key properties of 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 301.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 138620844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).