5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one

C8H11BrN2O3 — CID 66285557

IUPAC5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H11BrN2O3/c1-2-3-14-4-5-10-7(12)6(9)8(13)11-5/h2-4H2,1H3,(H2,10,11,12,13)
InChIKeyKJCPSBNRCIOORD-UHFFFAOYSA-N
MW263.09 g/mol
LogP1.16
Rot. Bonds4

About 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (PubChem CID 66285557) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
PubChem CID66285557
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
SMILESCCCOCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H11BrN2O3/c1-2-3-14-4-5-10-7(12)6(9)8(13)11-5/h2-4H2,1H3,(H2,10,11,12,13)
InChIKeyKJCPSBNRCIOORD-UHFFFAOYSA-N
XLogP1.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one (CID 66285557) is 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is CCCOCc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is KJCPSBNRCIOORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c1-2-3-14-4-5-10-7(12)6(9)8(13)11-5/h2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 263.09 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66285557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).