2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C12H10F3N3S — CID 58513228

IUPAC2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCSc1nc(N)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10F3N3S/c1-19-11-17-9(6-10(16)18-11)7-3-2-4-8(5-7)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyOLTAUIWOZIVCOV-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.47
Rot. Bonds2

About 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 58513228) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID58513228
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCSc1nc(N)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10F3N3S/c1-19-11-17-9(6-10(16)18-11)7-3-2-4-8(5-7)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyOLTAUIWOZIVCOV-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 86612500
2-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 46739890
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143932945
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823165
2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine
CID 18317248
6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716854
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 157282875
3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
CID 23000361
2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 71431274

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 58513228) is 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CSc1nc(N)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is OLTAUIWOZIVCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c1-19-11-17-9(6-10(16)18-11)7-3-2-4-8(5-7)12(13,14)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 285.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 58513228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).