5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

C8H8FN5S — CID 80888383

IUPAC5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCn1ccnc1Sc1nc(N)ncc1F
InChIInChI=1S/C8H8FN5S/c1-14-3-2-11-8(14)15-6-5(9)4-12-7(10)13-6/h2-4H,1H3,(H2,10,12,13)
InChIKeyYOQREBQZCHZHTE-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.08
Rot. Bonds2

About 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80888383) has the molecular formula C8H8FN5S and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80888383
Molecular FormulaC8H8FN5S
Molecular Weight225.25 g/mol
Exact Mass225.05
IUPAC Name5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCn1ccnc1Sc1nc(N)ncc1F
InChIInChI=1S/C8H8FN5S/c1-14-3-2-11-8(14)15-6-5(9)4-12-7(10)13-6/h2-4H,1H3,(H2,10,12,13)
InChIKeyYOQREBQZCHZHTE-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (CID 80888383) is 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is Cn1ccnc1Sc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is YOQREBQZCHZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5S/c1-14-3-2-11-8(14)15-6-5(9)4-12-7(10)13-6/h2-4H,1H3,(H2,10,12,13).
What are the key properties of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80888383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).