5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine

C13H13F2N3O — CID 80870299

IUPAC5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C13H13F2N3O/c1-2-7-16-13-17-8-11(15)12(18-13)19-10-5-3-9(14)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyXLEMFEFERAIGBG-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.37
Rot. Bonds5

About 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine

5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80870299) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80870299
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C13H13F2N3O/c1-2-7-16-13-17-8-11(15)12(18-13)19-10-5-3-9(14)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyXLEMFEFERAIGBG-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
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
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
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
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-fluoro-4-(2-methylbut-3-yn-2-yloxy)-N-propylpyrimidin-2-amine
CID 113461420

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine (CID 80870299) is 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Oc2ccc(F)cc2)n1.
What is the InChIKey of 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is XLEMFEFERAIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-7-16-13-17-8-11(15)12(18-13)19-10-5-3-9(14)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine?
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 265.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).