8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid

C10H10N2O4 — CID 139250532

IUPAC8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid
SMILESCCC1=COCc2c1nc(C(=O)O)[nH]c2=O
InChIInChI=1S/C10H10N2O4/c1-2-5-3-16-4-6-7(5)11-8(10(14)15)12-9(6)13/h3H,2,4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyFOBJPZMESNPJHW-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.75
Rot. Bonds2

About 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid

8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid (PubChem CID 139250532) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid
PubChem CID139250532
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid
SMILESCCC1=COCc2c1nc(C(=O)O)[nH]c2=O
InChIInChI=1S/C10H10N2O4/c1-2-5-3-16-4-6-7(5)11-8(10(14)15)12-9(6)13/h3H,2,4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyFOBJPZMESNPJHW-UHFFFAOYSA-N
XLogP0.75
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate
CID 139250526
methyl 8-ethyl-4-oxo-3-prop-2-ynyl-5H-pyrano[4,3-d]pyrimidine-2-carboxylate
CID 139250527
8-ethyl-4-oxo-3-prop-2-ynyl-5H-pyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 139250531
4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 136693538
Methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate
CID 136696271

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid (CID 139250532) is 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid is CCC1=COCc2c1nc(C(=O)O)[nH]c2=O.
What is the InChIKey of 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid?
The InChIKey is FOBJPZMESNPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-5-3-16-4-6-7(5)11-8(10(14)15)12-9(6)13/h3H,2,4H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid?
8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 139250532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).