5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one

C4H5BrN2O2 — CID 90731688

IUPAC5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1NC(O)N=CC1Br
InChIInChI=1S/C4H5BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2,4,9H,(H,7,8)
InChIKeyGNWOBSFHASUELR-UHFFFAOYSA-N
MW193.00 g/mol
LogP-0.77
Rot. Bonds

About 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one

5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one (PubChem CID 90731688) has the molecular formula C4H5BrN2O2 and a molecular weight of 193.00 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one
PubChem CID90731688
Molecular FormulaC4H5BrN2O2
Molecular Weight193.00 g/mol
Exact Mass191.95
IUPAC Name5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1NC(O)N=CC1Br
InChIInChI=1S/C4H5BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2,4,9H,(H,7,8)
InChIKeyGNWOBSFHASUELR-UHFFFAOYSA-N
XLogP-0.77
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-sulfanyl-2,5-dihydro-1H-pyrimidin-6-one
CID 123506307
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
4-hydroxyazetidine-2,3-dione
CID 56621119
5,6-dibromopiperazine-2,3-dione
CID 175346621
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
CID 89001782
(3aR,7aR)-1,3a,5,7a-tetrahydropyrazolo[3,4-d]pyrimidin-4-one
CID 124538022
6-bromo-2-(5-bromo-2-hydroxycyclohexyl)-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 140559244
3,4,5-trihydroxypiperidin-2-one
CID 14867232
(5S)-5-bromo-1H-pyrimidine-4,6-dione
CID 86310273
(5S)-5-hydroxyimidazolidine-2,4-dione
CID 40649061
2-azabicyclo[2.2.0]hex-5-en-3-one
CID 542871
(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione
CID 6947146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one (CID 90731688) is 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one is O=C1NC(O)N=CC1Br.
What is the InChIKey of 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is GNWOBSFHASUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2,4,9H,(H,7,8).
What are the key properties of 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one?
5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 193.00 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-2,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 90731688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).