5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine

C13H17FN4OS — CID 80858146

IUPAC5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OCCc2scnc2C)n1
InChIInChI=1S/C13H17FN4OS/c1-3-5-15-13-16-7-10(14)12(18-13)19-6-4-11-9(2)17-8-20-11/h7-8H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyQCEKQTIJAQEHDH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds7

About 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine

5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine (PubChem CID 80858146) has the molecular formula C13H17FN4OS and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
PubChem CID80858146
Molecular FormulaC13H17FN4OS
Molecular Weight296.37 g/mol
Exact Mass296.11
IUPAC Name5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OCCc2scnc2C)n1
InChIInChI=1S/C13H17FN4OS/c1-3-5-15-13-16-7-10(14)12(18-13)19-6-4-11-9(2)17-8-20-11/h7-8H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyQCEKQTIJAQEHDH-UHFFFAOYSA-N
XLogP2.82
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-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-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine (CID 80858146) is 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(OCCc2scnc2C)n1.
What is the InChIKey of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
The InChIKey is QCEKQTIJAQEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4OS/c1-3-5-15-13-16-7-10(14)12(18-13)19-6-4-11-9(2)17-8-20-11/h7-8H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80858146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).