8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

C11H8N2O3 — CID 143831183

IUPAC8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc2oc3c(=O)[nH]c(=O)[nH]c3c2c1
InChIInChI=1S/C11H8N2O3/c1-5-2-3-7-6(4-5)8-9(16-7)10(14)13-11(15)12-8/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyJLCXIWDZAHNGEO-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.27
Rot. Bonds

About 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 143831183) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID143831183
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc2oc3c(=O)[nH]c(=O)[nH]c3c2c1
InChIInChI=1S/C11H8N2O3/c1-5-2-3-7-6(4-5)8-9(16-7)10(14)13-11(15)12-8/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyJLCXIWDZAHNGEO-UHFFFAOYSA-N
XLogP1.27
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 143831183) is 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is Cc1ccc2oc3c(=O)[nH]c(=O)[nH]c3c2c1.
What is the InChIKey of 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JLCXIWDZAHNGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c1-5-2-3-7-6(4-5)8-9(16-7)10(14)13-11(15)12-8/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 216.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143831183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).