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

C5H5BrN2O2 — CID 46705583

IUPAC5-bromo-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C5H5BrN2O2/c1-10-5-3(6)4(9)7-2-8-5/h2H,1H3,(H,7,8,9)
InChIKeyUDFPWOOEHMTLEP-UHFFFAOYSA-N
MW205.01 g/mol
LogP0.54
Rot. Bonds1

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

5-bromo-4-methoxy-1H-pyrimidin-6-one (PubChem CID 46705583) has the molecular formula C5H5BrN2O2 and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-methoxy-1H-pyrimidin-6-one
PubChem CID46705583
Molecular FormulaC5H5BrN2O2
Molecular Weight205.01 g/mol
Exact Mass203.95
IUPAC Name5-bromo-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C5H5BrN2O2/c1-10-5-3(6)4(9)7-2-8-5/h2H,1H3,(H,7,8,9)
InChIKeyUDFPWOOEHMTLEP-UHFFFAOYSA-N
XLogP0.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-methoxy-1H-pyrimidin-6-one (CID 46705583) is 5-bromo-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-methoxy-1H-pyrimidin-6-one is COc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is UDFPWOOEHMTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2/c1-10-5-3(6)4(9)7-2-8-5/h2H,1H3,(H,7,8,9).
What are the key properties of 5-bromo-4-methoxy-1H-pyrimidin-6-one?
5-bromo-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 205.01 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 46705583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).