4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

C12H12F3N5S — CID 114566855

IUPAC4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)nc(N)n2)nc(C)c1C
InChIInChI=1S/C12H12F3N5S/c1-5-6(2)17-11(18-7(5)3)21-9-4-8(12(13,14)15)19-10(16)20-9/h4H,1-3H3,(H2,16,19,20)
InChIKeyLTPCWFZPEKOORW-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.94
Rot. Bonds2

About 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 114566855) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID114566855
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)nc(N)n2)nc(C)c1C
InChIInChI=1S/C12H12F3N5S/c1-5-6(2)17-11(18-7(5)3)21-9-4-8(12(13,14)15)19-10(16)20-9/h4H,1-3H3,(H2,16,19,20)
InChIKeyLTPCWFZPEKOORW-UHFFFAOYSA-N
XLogP2.94
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 114566855) is 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is Cc1nc(Sc2cc(C(F)(F)F)nc(N)n2)nc(C)c1C.
What is the InChIKey of 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is LTPCWFZPEKOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5S/c1-5-6(2)17-11(18-7(5)3)21-9-4-8(12(13,14)15)19-10(16)20-9/h4H,1-3H3,(H2,16,19,20).
What are the key properties of 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 315.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 114566855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).