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

C8H6F3N5S — CID 107785018

IUPAC4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Sc2ncc[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5S/c9-8(10,11)4-3-5(16-6(12)15-4)17-7-13-1-2-14-7/h1-3H,(H,13,14)(H2,12,15,16)
InChIKeyYSRBPEIIPFHETF-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.95
Rot. Bonds2

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

4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 107785018) has the molecular formula C8H6F3N5S and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID107785018
Molecular FormulaC8H6F3N5S
Molecular Weight261.23 g/mol
Exact Mass261.03
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Sc2ncc[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5S/c9-8(10,11)4-3-5(16-6(12)15-4)17-7-13-1-2-14-7/h1-3H,(H,13,14)(H2,12,15,16)
InChIKeyYSRBPEIIPFHETF-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 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 107785018) is 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(Sc2ncc[nH]2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YSRBPEIIPFHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5S/c9-8(10,11)4-3-5(16-6(12)15-4)17-7-13-1-2-14-7/h1-3H,(H,13,14)(H2,12,15,16).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-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 4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 107785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).