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

C12H10N2O4 — CID 57391932

IUPAC5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C12H10N2O4/c1-3-5-17-12-13-10(16)9-7(4-2)6-8(15)18-11(9)14-12/h1,6H,4-5H2,2H3,(H,13,14,16)
InChIKeyHUTUPDISCBBRKY-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.45
Rot. Bonds3

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

5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57391932) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57391932
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESC#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C12H10N2O4/c1-3-5-17-12-13-10(16)9-7(4-2)6-8(15)18-11(9)14-12/h1,6H,4-5H2,2H3,(H,13,14,16)
InChIKeyHUTUPDISCBBRKY-UHFFFAOYSA-N
XLogP0.45
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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-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
2-(3-cyclohexylprop-2-ynoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57400598

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57391932) is 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is C#CCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HUTUPDISCBBRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-3-5-17-12-13-10(16)9-7(4-2)6-8(15)18-11(9)14-12/h1,6H,4-5H2,2H3,(H,13,14,16).
What are the key properties of 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 246.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-prop-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57391932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).