6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H12F3N5S — CID 106775129

IUPAC6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nc(C)cc(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5S/c1-6-4-7(2)18-11(17-6)21-9-5-8(16-3)19-10(20-9)12(13,14)15/h4-5H,1-3H3,(H,16,19,20)
InChIKeyXFGLNMYZMRZVIK-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.10
Rot. Bonds3

About 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775129) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775129
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nc(C)cc(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5S/c1-6-4-7(2)18-11(17-6)21-9-5-8(16-3)19-10(20-9)12(13,14)15/h4-5H,1-3H3,(H,16,19,20)
InChIKeyXFGLNMYZMRZVIK-UHFFFAOYSA-N
XLogP3.10
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775129) is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nc(C)cc(C)n2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XFGLNMYZMRZVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5S/c1-6-4-7(2)18-11(17-6)21-9-5-8(16-3)19-10(20-9)12(13,14)15/h4-5H,1-3H3,(H,16,19,20).
What are the key properties of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 315.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).