5-bromo-4-hydroxy-1H-pyrimidin-6-one

C4H3BrN2O2 — CID 5098514

IUPAC5-bromo-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Br
InChIInChI=1S/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
InChIKeyXVXHFPZMRQXGBM-UHFFFAOYSA-N
MW190.98 g/mol
LogP0.24
Rot. Bonds

About 5-bromo-4-hydroxy-1H-pyrimidin-6-one

5-bromo-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 5098514) has the molecular formula C4H3BrN2O2 and a molecular weight of 190.98 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-1H-pyrimidin-6-one
PubChem CID5098514
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98 g/mol
Exact Mass189.94
IUPAC Name5-bromo-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Br
InChIInChI=1S/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
InChIKeyXVXHFPZMRQXGBM-UHFFFAOYSA-N
XLogP0.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.98
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-1H-pyrimidin-6-one (CID 5098514) is 5-bromo-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XVXHFPZMRQXGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9).
What are the key properties of 5-bromo-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 190.98 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 5098514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).