2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one

C5H5BrFN3O — CID 10176854

IUPAC2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(F)c(Br)c1=O
InChIInChI=1S/C5H5BrFN3O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3,(H2,8,9)
InChIKeyZAXAOCANWONDQR-UHFFFAOYSA-N
MW222.02 g/mol
LogP0.26
Rot. Bonds

About 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one

2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one (PubChem CID 10176854) has the molecular formula C5H5BrFN3O and a molecular weight of 222.02 g/mol. Its IUPAC name is 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one
PubChem CID10176854
Molecular FormulaC5H5BrFN3O
Molecular Weight222.02 g/mol
Exact Mass220.96
IUPAC Name2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one
SMILESCn1c(N)nc(F)c(Br)c1=O
InChIInChI=1S/C5H5BrFN3O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3,(H2,8,9)
InChIKeyZAXAOCANWONDQR-UHFFFAOYSA-N
XLogP0.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.02
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one?
The IUPAC name of 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one (CID 10176854) is 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one is Cn1c(N)nc(F)c(Br)c1=O.
What is the InChIKey of 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one?
The InChIKey is ZAXAOCANWONDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN3O/c1-10-4(11)2(6)3(7)9-5(10)8/h1H3,(H2,8,9).
What are the key properties of 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one?
2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one has a molecular weight of 222.02 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one is sourced from PubChem (CID 10176854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).