5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine

C11H12FN3S2 — CID 80887107

IUPAC5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C11H12FN3S2/c1-2-5-13-11-14-7-8(12)10(15-11)17-9-4-3-6-16-9/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyBAKVTJSEMLURMJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.65
Rot. Bonds5

About 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine

5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80887107) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine
PubChem CID80887107
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2cccs2)n1
InChIInChI=1S/C11H12FN3S2/c1-2-5-13-11-14-7-8(12)10(15-11)17-9-4-3-6-16-9/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyBAKVTJSEMLURMJ-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-propyl-4-thiophen-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-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine (CID 80887107) is 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2cccs2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is BAKVTJSEMLURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-2-5-13-11-14-7-8(12)10(15-11)17-9-4-3-6-16-9/h3-4,6-7H,2,5H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine?
5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-thiophen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).