2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C11H12N2O4 — CID 57402396

IUPAC2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C11H12N2O4/c1-3-6-5-7(14)17-10-8(6)9(15)12-11(13-10)16-4-2/h5H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyPPQCLNOFLIHVLK-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.84
Rot. Bonds3

About 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57402396) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57402396
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C11H12N2O4/c1-3-6-5-7(14)17-10-8(6)9(15)12-11(13-10)16-4-2/h5H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyPPQCLNOFLIHVLK-UHFFFAOYSA-N
XLogP0.84
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

2-but-2-ynoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605359
2-(cyclopropylmethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 15605364
5-(3-methylbutyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24953855
5-ethyl-2-(5-hydroxypent-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954572
5-ethyl-2-hex-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954935
5-ethyl-2-(4-hydroxybut-2-ynoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57390149
5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57391932
5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57393654
5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57393655
5-ethyl-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57395377
5-ethyl-2-pent-3-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397203
2-(3-cyclopropylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57398906

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57402396) is 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1.
What is the InChIKey of 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is PPQCLNOFLIHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-3-6-5-7(14)17-10-8(6)9(15)12-11(13-10)16-4-2/h5H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 236.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57402396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).