5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine

C8H8FN5S — CID 107784895

IUPAC5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H8FN5S/c1-10-7-13-4-5(9)6(14-7)15-8-11-2-3-12-8/h2-4H,1H3,(H,11,12)(H,10,13,14)
InChIKeyXCTIKIZOKZCWAY-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.53
Rot. Bonds3

About 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine

5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine (PubChem CID 107784895) has the molecular formula C8H8FN5S and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
PubChem CID107784895
Molecular FormulaC8H8FN5S
Molecular Weight225.25 g/mol
Exact Mass225.05
IUPAC Name5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H8FN5S/c1-10-7-13-4-5(9)6(14-7)15-8-11-2-3-12-8/h2-4H,1H3,(H,11,12)(H,10,13,14)
InChIKeyXCTIKIZOKZCWAY-UHFFFAOYSA-N
XLogP1.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine (CID 107784895) is 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2ncc[nH]2)n1.
What is the InChIKey of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The InChIKey is XCTIKIZOKZCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5S/c1-10-7-13-4-5(9)6(14-7)15-8-11-2-3-12-8/h2-4H,1H3,(H,11,12)(H,10,13,14).
What are the key properties of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 107784895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).