6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H8F3N5S — CID 106775121

IUPAC6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccnc(Sc2cc(N)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H8F3N5S/c1-5-2-3-15-9(16-5)19-7-4-6(14)17-8(18-7)10(11,12)13/h2-4H,1H3,(H2,14,17,18)
InChIKeyRIQAYZNUCQOUAN-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.33
Rot. Bonds2

About 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775121) has the molecular formula C10H8F3N5S and a molecular weight of 287.27 g/mol. Its IUPAC name is 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775121
Molecular FormulaC10H8F3N5S
Molecular Weight287.27 g/mol
Exact Mass287.05
IUPAC Name6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccnc(Sc2cc(N)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H8F3N5S/c1-5-2-3-15-9(16-5)19-7-4-6(14)17-8(18-7)10(11,12)13/h2-4H,1H3,(H2,14,17,18)
InChIKeyRIQAYZNUCQOUAN-UHFFFAOYSA-N
XLogP2.33
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775121) is 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccnc(Sc2cc(N)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RIQAYZNUCQOUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5S/c1-5-2-3-15-9(16-5)19-7-4-6(14)17-8(18-7)10(11,12)13/h2-4H,1H3,(H2,14,17,18).
What are the key properties of 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).