methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

C11H11N3O4 — CID 66490228

IUPACmethyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C
InChIInChI=1S/C11H11N3O4/c1-5-6(10(16)18-3)4-7-8(12-5)14(2)11(17)13-9(7)15/h4H,1-3H3,(H,13,15,17)
InChIKeyYTWUIJGRARFQHB-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.28
Rot. Bonds1

About methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 66490228) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID66490228
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namemethyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C
InChIInChI=1S/C11H11N3O4/c1-5-6(10(16)18-3)4-7-8(12-5)14(2)11(17)13-9(7)15/h4H,1-3H3,(H,13,15,17)
InChIKeyYTWUIJGRARFQHB-UHFFFAOYSA-N
XLogP-0.28
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

propan-2-yl 1-(2-methoxyethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 56763674
N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737907
methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
CID 6461919
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
2-methoxyethyl 1-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66498784
1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498762
ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490277
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
ethyl 6-(3-acetyloxypropyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
CID 146020984
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66495728

Frequently Asked Questions

What is the IUPAC name of methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate (CID 66490228) is methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C.
What is the InChIKey of methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YTWUIJGRARFQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-5-6(10(16)18-3)4-7-8(12-5)14(2)11(17)13-9(7)15/h4H,1-3H3,(H,13,15,17).
What are the key properties of methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 249.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 66490228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).