1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione

C11H12N2O4 — CID 134863499

IUPAC1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCn1cc(/C=C2\CCOC2=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H12N2O4/c1-12-6-8(9(14)13(2)11(12)16)5-7-3-4-17-10(7)15/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyVQASNPUPMFAQKC-FNORWQNLSA-N
MW236.23 g/mol
LogP-0.59
Rot. Bonds1

About 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 134863499) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID134863499
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCn1cc(/C=C2\CCOC2=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H12N2O4/c1-12-6-8(9(14)13(2)11(12)16)5-7-3-4-17-10(7)15/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyVQASNPUPMFAQKC-FNORWQNLSA-N
XLogP-0.59
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione (CID 134863499) is 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione is Cn1cc(/C=C2\CCOC2=O)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is VQASNPUPMFAQKC-FNORWQNLSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-12-6-8(9(14)13(2)11(12)16)5-7-3-4-17-10(7)15/h5-6H,3-4H2,1-2H3/b7-5+.
What are the key properties of 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(E)-(2-oxooxolan-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 134863499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).