ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C11H11N3O4 — CID 66490277

IUPACethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(=O)[nH]c2nc1C
InChIInChI=1S/C11H11N3O4/c1-3-18-10(16)6-4-7-8(12-5(6)2)13-11(17)14-9(7)15/h4H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyATDXETKRNHCLMP-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.10
Rot. Bonds2

About ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 66490277) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID66490277
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Nameethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(=O)[nH]c2nc1C
InChIInChI=1S/C11H11N3O4/c1-3-18-10(16)6-4-7-8(12-5(6)2)13-11(17)14-9(7)15/h4H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyATDXETKRNHCLMP-UHFFFAOYSA-N
XLogP0.10
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
N-(3-chloro-4-methylphenyl)-7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498818
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
CID 3067749
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
CID 19374300
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 6-chloro-5-isocyano-2-methylpyridine-3-carboxylate
CID 140911575
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406
[(5-ethoxycarbonyl-2,6-dimethylpyridine-3-carbonyl)amino]carbamodithioic acid
CID 21238993
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 66490277) is ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(=O)[nH]c(=O)[nH]c2nc1C.
What is the InChIKey of ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ATDXETKRNHCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-3-18-10(16)6-4-7-8(12-5(6)2)13-11(17)14-9(7)15/h4H,3H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 66490277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).