methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate

C11H11N3O4 — CID 6461919

IUPACmethyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C11H11N3O4/c1-5-4-6(10(16)18-3)12-8-7(5)9(15)13-11(17)14(8)2/h4H,1-3H3,(H,13,15,17)
InChIKeyVOFYFBKFZFWREG-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.28
Rot. Bonds1

About methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate

methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 6461919) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID6461919
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namemethyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C)c2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C11H11N3O4/c1-5-4-6(10(16)18-3)12-8-7(5)9(15)13-11(17)14(8)2/h4H,1-3H3,(H,13,15,17)
InChIKeyVOFYFBKFZFWREG-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

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate (CID 6461919) is methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate is COC(=O)c1cc(C)c2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is VOFYFBKFZFWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-5-4-6(10(16)18-3)12-8-7(5)9(15)13-11(17)14(8)2/h4H,1-3H3,(H,13,15,17).
What are the key properties of methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate?
methyl 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-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 1,5-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 6461919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).