2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane

C11H14N2O3 — CID 143332994

IUPAC2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane
SMILESCC.Cc1nc2oc(=O)cc(C)c2c(=O)[nH]1
InChIInChI=1S/C9H8N2O3.C2H6/c1-4-3-6(12)14-9-7(4)8(13)10-5(2)11-9;1-2/h3H,1-2H3,(H,10,11,13);1-2H3
InChIKeyOKUIGMMUERNPJB-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.52
Rot. Bonds

About 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane

2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane (PubChem CID 143332994) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane.

Molecular Properties

Compound Name2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane
PubChem CID143332994
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane
SMILESCC.Cc1nc2oc(=O)cc(C)c2c(=O)[nH]1
InChIInChI=1S/C9H8N2O3.C2H6/c1-4-3-6(12)14-9-7(4)8(13)10-5(2)11-9;1-2/h3H,1-2H3,(H,10,11,13);1-2H3
InChIKeyOKUIGMMUERNPJB-UHFFFAOYSA-N
XLogP1.52
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane?
The IUPAC name of 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane (CID 143332994) is 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane.
What is the SMILES notation for 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane?
The canonical SMILES for 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane is CC.Cc1nc2oc(=O)cc(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane?
The InChIKey is OKUIGMMUERNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3.C2H6/c1-4-3-6(12)14-9-7(4)8(13)10-5(2)11-9;1-2/h3H,1-2H3,(H,10,11,13);1-2H3.
What are the key properties of 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane?
2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane has a molecular weight of 222.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane is sourced from PubChem (CID 143332994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).