6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H10F3N3OS — CID 106775088

IUPAC6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccccc1Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3OS/c1-19-7-4-2-3-5-8(7)20-10-6-9(16)17-11(18-10)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyVYKXBNLWVZSWKS-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.24
Rot. Bonds3

About 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775088) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775088
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccccc1Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3OS/c1-19-7-4-2-3-5-8(7)20-10-6-9(16)17-11(18-10)12(13,14)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyVYKXBNLWVZSWKS-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Methoxybenzyl)sulfanyl]pyrimidine-2,4-Diamine
CID 25113144
2-[2-(2-Fluorophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 1794610
2-(2-Phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042
6-sec-Butoxy-2-(2-methoxy-phenylsulfanyl)-pyrimidin-4-ylamine
CID 478092
4-Pyrimidinamine, 2-((3-methoxyphenyl)thio)-6-(1-methylpropoxy)-
CID 478093
6-sec-Butoxy-2-(4-methoxy-phenylsulfanyl)-pyrimidin-4-ylamine
CID 478094
2-(2-Methoxyphenyl)sulfanylpyrimidine
CID 482733
2-Chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine
CID 11101225
[2-(trifluoromethylsulfanyl)phenyl] N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
CID 13631127
2-Methyl-4-methylsulfanyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 57158587
4-Chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
CID 118960406
2-Chloro-4-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
CID 118960563

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775088) is 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is COc1ccccc1Sc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VYKXBNLWVZSWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-19-7-4-2-3-5-8(7)20-10-6-9(16)17-11(18-10)12(13,14)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).