6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine

C10H8BrFN4O — CID 80878320

IUPAC6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(Br)c(F)c2)nc(N)n1
InChIInChI=1S/C10H8BrFN4O/c11-6-2-1-5(3-7(6)12)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyFQMAMIXUYBXJOU-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.33
Rot. Bonds2

About 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine

6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine (PubChem CID 80878320) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
PubChem CID80878320
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC Name6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(Br)c(F)c2)nc(N)n1
InChIInChI=1S/C10H8BrFN4O/c11-6-2-1-5(3-7(6)12)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyFQMAMIXUYBXJOU-UHFFFAOYSA-N
XLogP2.33
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
CID 83235895
6-naphthalen-2-yloxypyrimidine-2,4-diamine
CID 80870122
6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
CID 80880795
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
2-(4-bromo-3-fluorophenoxy)quinoline
CID 65203173
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
5-bromo-4-(4-bromo-3-fluorophenoxy)pyridin-3-amine
CID 103518810

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine (CID 80878320) is 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2ccc(Br)c(F)c2)nc(N)n1.
What is the InChIKey of 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine?
The InChIKey is FQMAMIXUYBXJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c11-6-2-1-5(3-7(6)12)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16).
What are the key properties of 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine?
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine has a molecular weight of 299.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80878320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).