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

C9H13FN4S — CID 80764346

IUPAC5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C9H13FN4S/c1-11-9-12-6-7(10)8(13-9)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyNMKBXGOQBZQJRP-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.21
Rot. Bonds2

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

5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 80764346) has the molecular formula C9H13FN4S and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID80764346
Molecular FormulaC9H13FN4S
Molecular Weight228.30 g/mol
Exact Mass228.08
IUPAC Name5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C9H13FN4S/c1-11-9-12-6-7(10)8(13-9)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyNMKBXGOQBZQJRP-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-methyl-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-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 80764346) is 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine is CNc1ncc(F)c(N2CCSCC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is NMKBXGOQBZQJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4S/c1-11-9-12-6-7(10)8(13-9)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 80764346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).