5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine

C8H11FN4S — CID 80764069

IUPAC5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C8H11FN4S/c9-6-5-11-8(10)12-7(6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyFSGMGUZPWQAURY-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.75
Rot. Bonds1

About 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine

5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 80764069) has the molecular formula C8H11FN4S and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID80764069
Molecular FormulaC8H11FN4S
Molecular Weight214.27 g/mol
Exact Mass214.07
IUPAC Name5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C8H11FN4S/c9-6-5-11-8(10)12-7(6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyFSGMGUZPWQAURY-UHFFFAOYSA-N
XLogP0.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-thiomorpholin-4-ylpyrimidin-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-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 80764069) is 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine is Nc1ncc(F)c(N2CCSCC2)n1.
What is the InChIKey of 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is FSGMGUZPWQAURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4S/c9-6-5-11-8(10)12-7(6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 80764069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).