5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine

C9H8FN5S — CID 80888424

IUPAC5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncccn2)n1
InChIInChI=1S/C9H8FN5S/c1-11-8-14-5-6(10)7(15-8)16-9-12-3-2-4-13-9/h2-5H,1H3,(H,11,14,15)
InChIKeyYBLIEWJKLOYVQA-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.60
Rot. Bonds3

About 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine

5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80888424) has the molecular formula C9H8FN5S and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80888424
Molecular FormulaC9H8FN5S
Molecular Weight237.26 g/mol
Exact Mass237.05
IUPAC Name5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncccn2)n1
InChIInChI=1S/C9H8FN5S/c1-11-8-14-5-6(10)7(15-8)16-9-12-3-2-4-13-9/h2-5H,1H3,(H,11,14,15)
InChIKeyYBLIEWJKLOYVQA-UHFFFAOYSA-N
XLogP1.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-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-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine (CID 80888424) is 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2ncccn2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is YBLIEWJKLOYVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5S/c1-11-8-14-5-6(10)7(15-8)16-9-12-3-2-4-13-9/h2-5H,1H3,(H,11,14,15).
What are the key properties of 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80888424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).