methyl 1-methyl-6-oxopyrimidine-4-carboxylate

C7H8N2O3 — CID 141087181

IUPACmethyl 1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)cn1
InChIInChI=1S/C7H8N2O3/c1-9-4-8-5(3-6(9)10)7(11)12-2/h3-4H,1-2H3
InChIKeyBIETYFDWHOCPHX-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.43
Rot. Bonds1

About methyl 1-methyl-6-oxopyrimidine-4-carboxylate

methyl 1-methyl-6-oxopyrimidine-4-carboxylate (PubChem CID 141087181) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 1-methyl-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-oxopyrimidine-4-carboxylate
PubChem CID141087181
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)cn1
InChIInChI=1S/C7H8N2O3/c1-9-4-8-5(3-6(9)10)7(11)12-2/h3-4H,1-2H3
InChIKeyBIETYFDWHOCPHX-UHFFFAOYSA-N
XLogP-0.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
CID 154671680
methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate
CID 154725458
1-methyl-6-oxopyrimidine-4-carboximidoyl cyanide
CID 139520373
2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide
CID 12778118
dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane
CID 143864925
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CID 160833833
methyl 2-cyano-1-methylimidazole-4-carboxylate
CID 117272797
methyl 1-(4-bromobutyl)imidazole-4-carboxylate
CID 53310721
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
CID 130210234
methyl 4-methylpyridine-2-carboxylate
CID 10920693
dimethyl 1-prop-2-ynylpyrazole-3,5-dicarboxylate
CID 155292872
methyl 1,6-dimethylbenzimidazole-5-carboxylate
CID 121006340

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-oxopyrimidine-4-carboxylate?
The IUPAC name of methyl 1-methyl-6-oxopyrimidine-4-carboxylate (CID 141087181) is methyl 1-methyl-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-6-oxopyrimidine-4-carboxylate is COC(=O)c1cc(=O)n(C)cn1.
What is the InChIKey of methyl 1-methyl-6-oxopyrimidine-4-carboxylate?
The InChIKey is BIETYFDWHOCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9-4-8-5(3-6(9)10)7(11)12-2/h3-4H,1-2H3.
What are the key properties of methyl 1-methyl-6-oxopyrimidine-4-carboxylate?
methyl 1-methyl-6-oxopyrimidine-4-carboxylate has a molecular weight of 168.15 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 141087181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).