5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one

C6H7BrN2O2 — CID 135803830

IUPAC5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyQOOWQXAFRNALKR-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.85
Rot. Bonds1

About 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one

5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 135803830) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one
PubChem CID135803830
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyQOOWQXAFRNALKR-UHFFFAOYSA-N
XLogP0.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
5-bromo-2-chloro-6-methyl-4(3H)-Pyrimidinone
CID 135409924
5-bromo-4-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
CID 135803835
2,5-dibromo-4-methyl-1H-pyrimidin-6-one
CID 137000652

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one (CID 135803830) is 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one is COc1nc(C)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QOOWQXAFRNALKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10).
What are the key properties of 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 219.04 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135803830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).