diethyl pyrimidine-2,4-dicarboxylate

C10H12N2O4 — CID 66701935

IUPACdiethyl pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1ccnc(C(=O)OCC)n1
InChIInChI=1S/C10H12N2O4/c1-3-15-9(13)7-5-6-11-8(12-7)10(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeyQMKOOFGZHMSBLD-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.83
Rot. Bonds4

About diethyl pyrimidine-2,4-dicarboxylate

diethyl pyrimidine-2,4-dicarboxylate (PubChem CID 66701935) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is diethyl pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl pyrimidine-2,4-dicarboxylate
PubChem CID66701935
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namediethyl pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1ccnc(C(=O)OCC)n1
InChIInChI=1S/C10H12N2O4/c1-3-15-9(13)7-5-6-11-8(12-7)10(14)16-4-2/h5-6H,3-4H2,1-2H3
InChIKeyQMKOOFGZHMSBLD-UHFFFAOYSA-N
XLogP0.83
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl pyrimidine-2,4-dicarboxylate 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 diethyl pyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl pyrimidine-2,4-dicarboxylate (CID 66701935) is diethyl pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl pyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl pyrimidine-2,4-dicarboxylate is CCOC(=O)c1ccnc(C(=O)OCC)n1.
What is the InChIKey of diethyl pyrimidine-2,4-dicarboxylate?
The InChIKey is QMKOOFGZHMSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-15-9(13)7-5-6-11-8(12-7)10(14)16-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl pyrimidine-2,4-dicarboxylate?
diethyl pyrimidine-2,4-dicarboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 66701935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).