4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine

C13H12BrF2N3O — CID 83237096

IUPAC4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H12BrF2N3O/c1-2-5-17-13-18-7-11(16)12(19-13)20-8-3-4-10(15)9(14)6-8/h3-4,6-7H,2,5H2,1H3,(H,17,18,19)
InChIKeyQOMXWJAMFSNKGS-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.13
Rot. Bonds5

About 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine

4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 83237096) has the molecular formula C13H12BrF2N3O and a molecular weight of 344.16 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID83237096
Molecular FormulaC13H12BrF2N3O
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H12BrF2N3O/c1-2-5-17-13-18-7-11(16)12(19-13)20-8-3-4-10(15)9(14)6-8/h3-4,6-7H,2,5H2,1H3,(H,17,18,19)
InChIKeyQOMXWJAMFSNKGS-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662517
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine (CID 83237096) is 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Oc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is QOMXWJAMFSNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O/c1-2-5-17-13-18-7-11(16)12(19-13)20-8-3-4-10(15)9(14)6-8/h3-4,6-7H,2,5H2,1H3,(H,17,18,19).
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 344.16 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 83237096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).