5-bromo-4-fluoro-6-methoxypyrimidin-2-amine

C5H5BrFN3O — CID 164908006

IUPAC5-bromo-4-fluoro-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(F)c1Br
InChIInChI=1S/C5H5BrFN3O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H2,8,9,10)
InChIKeyGIHZJXRPKVAFAC-UHFFFAOYSA-N
MW222.02 g/mol
LogP0.97
Rot. Bonds1

About 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine

5-bromo-4-fluoro-6-methoxypyrimidin-2-amine (PubChem CID 164908006) has the molecular formula C5H5BrFN3O and a molecular weight of 222.02 g/mol. Its IUPAC name is 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-fluoro-6-methoxypyrimidin-2-amine
PubChem CID164908006
Molecular FormulaC5H5BrFN3O
Molecular Weight222.02 g/mol
Exact Mass220.96
IUPAC Name5-bromo-4-fluoro-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(F)c1Br
InChIInChI=1S/C5H5BrFN3O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H2,8,9,10)
InChIKeyGIHZJXRPKVAFAC-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.02
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine (CID 164908006) is 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine is COc1nc(N)nc(F)c1Br.
What is the InChIKey of 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine?
The InChIKey is GIHZJXRPKVAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN3O/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H2,8,9,10).
What are the key properties of 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine?
5-bromo-4-fluoro-6-methoxypyrimidin-2-amine has a molecular weight of 222.02 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 164908006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).