diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate

C13H16N2O4 — CID 14141450

IUPACdiethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc2c(c(C(=O)OCC)n1)CCC2
InChIInChI=1S/C13H16N2O4/c1-3-18-12(16)10-8-6-5-7-9(8)14-11(15-10)13(17)19-4-2/h3-7H2,1-2H3
InChIKeyNRRIFFLDHNKBQC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.32
Rot. Bonds4

About diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate

diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate (PubChem CID 14141450) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate
PubChem CID14141450
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namediethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc2c(c(C(=O)OCC)n1)CCC2
InChIInChI=1S/C13H16N2O4/c1-3-18-12(16)10-8-6-5-7-9(8)14-11(15-10)13(17)19-4-2/h3-7H2,1-2H3
InChIKeyNRRIFFLDHNKBQC-UHFFFAOYSA-N
XLogP1.32
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 6,7-dihydro-5H-cyclopenta[d]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 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate (CID 14141450) is diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc2c(c(C(=O)OCC)n1)CCC2.
What is the InChIKey of diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate?
The InChIKey is NRRIFFLDHNKBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-18-12(16)10-8-6-5-7-9(8)14-11(15-10)13(17)19-4-2/h3-7H2,1-2H3.
What are the key properties of diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate?
diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 14141450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).