6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione

C11H11N3O4 — CID 176878710

IUPAC6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(C3CNC(=O)C3)c(=O)c2o1
InChIInChI=1S/C11H11N3O4/c1-5-2-7-9(18-5)10(16)14(11(17)13-7)6-3-8(15)12-4-6/h2,6H,3-4H2,1H3,(H,12,15)(H,13,17)
InChIKeyGNLQWLUMVOAZMN-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.35
Rot. Bonds1

About 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione

6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione (PubChem CID 176878710) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione
PubChem CID176878710
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(C3CNC(=O)C3)c(=O)c2o1
InChIInChI=1S/C11H11N3O4/c1-5-2-7-9(18-5)10(16)14(11(17)13-7)6-3-8(15)12-4-6/h2,6H,3-4H2,1H3,(H,12,15)(H,13,17)
InChIKeyGNLQWLUMVOAZMN-UHFFFAOYSA-N
XLogP-0.35
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione (CID 176878710) is 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione is Cc1cc2[nH]c(=O)n(C3CNC(=O)C3)c(=O)c2o1.
What is the InChIKey of 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GNLQWLUMVOAZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-5-2-7-9(18-5)10(16)14(11(17)13-7)6-3-8(15)12-4-6/h2,6H,3-4H2,1H3,(H,12,15)(H,13,17).
What are the key properties of 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-oxopyrrolidin-3-yl)-1H-furo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 176878710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).