6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H12F3N3OS — CID 106775008

IUPAC6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2cccc(OC)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3OS/c1-17-10-7-11(19-12(18-10)13(14,15)16)21-9-5-3-4-8(6-9)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLTCKRPLGBASCEE-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.70
Rot. Bonds4

About 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775008) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775008
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2cccc(OC)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3OS/c1-17-10-7-11(19-12(18-10)13(14,15)16)21-9-5-3-4-8(6-9)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLTCKRPLGBASCEE-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)sulfanyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566730
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 113368207
N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107785223
N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775119
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717128
N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775288
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883462
4-N-(3-iodophenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770063
6-(3-chlorophenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80892292

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775008) is 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2cccc(OC)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LTCKRPLGBASCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-17-10-7-11(19-12(18-10)13(14,15)16)21-9-5-3-4-8(6-9)20-2/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 315.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).