5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione

C6H7BrN2O3 — CID 23273612

IUPAC5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione
SMILESCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C6H7BrN2O3/c1-3-4(7)5(10)9(12-2)6(11)8-3/h1-2H3,(H,8,11)
InChIKeyLQBGBUPTLRWBJN-UHFFFAOYSA-N
MW235.04 g/mol
LogP-0.33
Rot. Bonds1

About 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione

5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 23273612) has the molecular formula C6H7BrN2O3 and a molecular weight of 235.04 g/mol. Its IUPAC name is 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID23273612
Molecular FormulaC6H7BrN2O3
Molecular Weight235.04 g/mol
Exact Mass233.96
IUPAC Name5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione
SMILESCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C6H7BrN2O3/c1-3-4(7)5(10)9(12-2)6(11)8-3/h1-2H3,(H,8,11)
InChIKeyLQBGBUPTLRWBJN-UHFFFAOYSA-N
XLogP-0.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione (CID 23273612) is 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione is COn1c(=O)[nH]c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is LQBGBUPTLRWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3/c1-3-4(7)5(10)9(12-2)6(11)8-3/h1-2H3,(H,8,11).
What are the key properties of 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione?
5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 235.04 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23273612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).