methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate

C11H12N2O4 — CID 139250526

IUPACmethyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate
SMILESCCC1=COCc2c1nc(C(=O)OC)[nH]c2=O
InChIInChI=1S/C11H12N2O4/c1-3-6-4-17-5-7-8(6)12-9(11(15)16-2)13-10(7)14/h4H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyYZVAXQCTQXKYMA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.84
Rot. Bonds2

About methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate

methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate (PubChem CID 139250526) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate
PubChem CID139250526
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namemethyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate
SMILESCCC1=COCc2c1nc(C(=O)OC)[nH]c2=O
InChIInChI=1S/C11H12N2O4/c1-3-6-4-17-5-7-8(6)12-9(11(15)16-2)13-10(7)14/h4H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyYZVAXQCTQXKYMA-UHFFFAOYSA-N
XLogP0.84
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-ethyl-4,7-dioxo-4,7-dihydro-3H-pyrano[2,3-d]pyrimidine-2-carboxylate
CID 15605500
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
8-Ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 139250532
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 methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate?
The IUPAC name of methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate (CID 139250526) is methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate is CCC1=COCc2c1nc(C(=O)OC)[nH]c2=O.
What is the InChIKey of methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate?
The InChIKey is YZVAXQCTQXKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3-6-4-17-5-7-8(6)12-9(11(15)16-2)13-10(7)14/h4H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate?
methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 139250526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).