5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine

C13H14FN3O — CID 80869263

IUPAC5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2ccccc2)n1
InChIInChI=1S/C13H14FN3O/c1-2-8-15-13-16-9-11(14)12(17-13)18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyPMAUMUBHSOUAIB-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.23
Rot. Bonds5

About 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine

5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine (PubChem CID 80869263) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
PubChem CID80869263
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2ccccc2)n1
InChIInChI=1S/C13H14FN3O/c1-2-8-15-13-16-9-11(14)12(17-13)18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyPMAUMUBHSOUAIB-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-phenoxy-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

Related Compounds

5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-fluoro-4-(2-methylbut-3-yn-2-yloxy)-N-propylpyrimidin-2-amine
CID 113461420
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662517

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine (CID 80869263) is 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Oc2ccccc2)n1.
What is the InChIKey of 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine?
The InChIKey is PMAUMUBHSOUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-8-15-13-16-9-11(14)12(17-13)18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine?
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80869263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).