6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C8H6F3N5S — CID 114001311

IUPAC6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5S/c9-8(10,11)6-15-4(12)3-5(16-6)17-7-13-1-2-14-7/h1-3H,(H,13,14)(H2,12,15,16)
InChIKeyRMRYOHWPZYFGJM-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.95
Rot. Bonds2

About 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114001311) has the molecular formula C8H6F3N5S and a molecular weight of 261.23 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114001311
Molecular FormulaC8H6F3N5S
Molecular Weight261.23 g/mol
Exact Mass261.03
IUPAC Name6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5S/c9-8(10,11)6-15-4(12)3-5(16-6)17-7-13-1-2-14-7/h1-3H,(H,13,14)(H2,12,15,16)
InChIKeyRMRYOHWPZYFGJM-UHFFFAOYSA-N
XLogP1.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 114001311) is 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RMRYOHWPZYFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5S/c9-8(10,11)6-15-4(12)3-5(16-6)17-7-13-1-2-14-7/h1-3H,(H,13,14)(H2,12,15,16).
What are the key properties of 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 261.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114001311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).