5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one

C6H7BrN2O2 — CID 66286962

IUPAC5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyOJFSMQIDJVQAAA-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.80
Rot. Bonds1

About 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66286962) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66286962
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyOJFSMQIDJVQAAA-UHFFFAOYSA-N
XLogP0.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 66286962) is 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is OJFSMQIDJVQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 219.04 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66286962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).