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

C9H8F3N5S — CID 114001341

IUPAC6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S/c1-13-5-4-6(18-8-14-2-3-15-8)17-7(16-5)9(10,11)12/h2-4H,1H3,(H,14,15)(H,13,16,17)
InChIKeyKSIXNEVILUGXMA-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.41
Rot. Bonds3

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

6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114001341) has the molecular formula C9H8F3N5S and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114001341
Molecular FormulaC9H8F3N5S
Molecular Weight275.26 g/mol
Exact Mass275.05
IUPAC Name6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5S/c1-13-5-4-6(18-8-14-2-3-15-8)17-7(16-5)9(10,11)12/h2-4H,1H3,(H,14,15)(H,13,16,17)
InChIKeyKSIXNEVILUGXMA-UHFFFAOYSA-N
XLogP2.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.41
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)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 114001341) is 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KSIXNEVILUGXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S/c1-13-5-4-6(18-8-14-2-3-15-8)17-7(16-5)9(10,11)12/h2-4H,1H3,(H,14,15)(H,13,16,17).
What are the key properties of 6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1H-imidazol-2-ylsulfanyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 275.26 g/mol, XLogP of 2.41, 3 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)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114001341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).