methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide

C6H7BrN2O3 — CID 78158188

IUPACmethyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide
SMILESBr.COC(=O)C1C=NC(=O)N=C1
InChIInChI=1S/C6H6N2O3.BrH/c1-11-5(9)4-2-7-6(10)8-3-4;/h2-4H,1H3;1H
InChIKeyWWXAOXKAZYGPIU-UHFFFAOYSA-N
MW235.04 g/mol
LogP0.63
Rot. Bonds1

About methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide

methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide (PubChem CID 78158188) has the molecular formula C6H7BrN2O3 and a molecular weight of 235.04 g/mol. Its IUPAC name is methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide.

Molecular Properties

Compound Namemethyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide
PubChem CID78158188
Molecular FormulaC6H7BrN2O3
Molecular Weight235.04 g/mol
Exact Mass233.96
IUPAC Namemethyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide
SMILESBr.COC(=O)C1C=NC(=O)N=C1
InChIInChI=1S/C6H6N2O3.BrH/c1-11-5(9)4-2-7-6(10)8-3-4;/h2-4H,1H3;1H
InChIKeyWWXAOXKAZYGPIU-UHFFFAOYSA-N
XLogP0.63
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,5-dihydropyrimidine-5-carboxylate
CID 54145857
Methyl 2-methyl-3-methyliminopropanoate
CID 91554944
Methyl 3-ethylimino-2-methylpropanoate
CID 123326483
ethyl 2-oxo-5H-pyrimidine-5-carboxylate
CID 45074708
methyl 2-oxo-5H-pyrimidine-5-carboxylate
CID 77519355
Methyl 3-methylimino-2-(methyliminomethyl)propanoate
CID 176483605

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide?
The IUPAC name of methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide (CID 78158188) is methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide.
What is the SMILES notation for methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide?
The canonical SMILES for methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide is Br.COC(=O)C1C=NC(=O)N=C1.
What is the InChIKey of methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide?
The InChIKey is WWXAOXKAZYGPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.BrH/c1-11-5(9)4-2-7-6(10)8-3-4;/h2-4H,1H3;1H.
What are the key properties of methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide?
methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide has a molecular weight of 235.04 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5H-pyrimidine-5-carboxylate;hydrobromide is sourced from PubChem (CID 78158188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).