1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

C11H11N3O5 — CID 134997746

IUPAC1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1c(=O)n(C)c(=O)c2cc(C(=O)O)c(=O)[nH]c21
InChIInChI=1S/C11H11N3O5/c1-3-14-7-5(9(16)13(2)11(14)19)4-6(10(17)18)8(15)12-7/h4H,3H2,1-2H3,(H,12,15)(H,17,18)
InChIKeyFHGJFWVECWCRLB-UHFFFAOYSA-N
MW265.22 g/mol
LogP-0.89
Rot. Bonds2

About 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid

1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 134997746) has the molecular formula C11H11N3O5 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID134997746
Molecular FormulaC11H11N3O5
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1c(=O)n(C)c(=O)c2cc(C(=O)O)c(=O)[nH]c21
InChIInChI=1S/C11H11N3O5/c1-3-14-7-5(9(16)13(2)11(14)19)4-6(10(17)18)8(15)12-7/h4H,3H2,1-2H3,(H,12,15)(H,17,18)
InChIKeyFHGJFWVECWCRLB-UHFFFAOYSA-N
XLogP-0.89
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 12267913
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CID 12267914
CID 12267914
CID 16092074
CID 16092074
CID 16092075
CID 16092075
CID 134998104
CID 134998104
CID 134998317
CID 134998317
CID 330349
CID 330349
CID 57853520
CID 57853520
CID 91208737
CID 91208737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 134997746) is 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is CCn1c(=O)n(C)c(=O)c2cc(C(=O)O)c(=O)[nH]c21.
What is the InChIKey of 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is FHGJFWVECWCRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-3-14-7-5(9(16)13(2)11(14)19)4-6(10(17)18)8(15)12-7/h4H,3H2,1-2H3,(H,12,15)(H,17,18).
What are the key properties of 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134997746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).