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

C10H10N2O4 — CID 57393654

IUPAC5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC)[nH]c(=O)c12
InChIInChI=1S/C10H10N2O4/c1-3-5-4-6(13)16-9-7(5)8(14)11-10(12-9)15-2/h4H,3H2,1-2H3,(H,11,12,14)
InChIKeyCLDYMPKOSLUPCZ-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.45
Rot. Bonds2

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

5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57393654) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57393654
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OC)[nH]c(=O)c12
InChIInChI=1S/C10H10N2O4/c1-3-5-4-6(13)16-9-7(5)8(14)11-10(12-9)15-2/h4H,3H2,1-2H3,(H,11,12,14)
InChIKeyCLDYMPKOSLUPCZ-UHFFFAOYSA-N
XLogP0.45
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57393654) is 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OC)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CLDYMPKOSLUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-3-5-4-6(13)16-9-7(5)8(14)11-10(12-9)15-2/h4H,3H2,1-2H3,(H,11,12,14).
What are the key properties of 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 222.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57393654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).