4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine

C13H12F3N3O — CID 80879085

IUPAC4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C13H12F3N3O/c1-2-6-17-13-18-7-9(15)12(19-13)20-10-5-3-4-8(14)11(10)16/h3-5,7H,2,6H2,1H3,(H,17,18,19)
InChIKeyNXUFXKAPZHRKGY-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.51
Rot. Bonds5

About 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine

4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80879085) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80879085
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C13H12F3N3O/c1-2-6-17-13-18-7-9(15)12(19-13)20-10-5-3-4-8(14)11(10)16/h3-5,7H,2,6H2,1H3,(H,17,18,19)
InChIKeyNXUFXKAPZHRKGY-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662517
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872490

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine (CID 80879085) is 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Oc2cccc(F)c2F)n1.
What is the InChIKey of 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is NXUFXKAPZHRKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-6-17-13-18-7-9(15)12(19-13)20-10-5-3-4-8(14)11(10)16/h3-5,7H,2,6H2,1H3,(H,17,18,19).
What are the key properties of 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 283.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80879085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).