ethyl 2,5-dihydropyrimidine-4-carboxylate

C7H10N2O2 — CID 91615471

IUPACethyl 2,5-dihydropyrimidine-4-carboxylate
SMILESCCOC(=O)C1=NCN=CC1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)6-3-4-8-5-9-6/h4H,2-3,5H2,1H3
InChIKeyIBPFYKYUTMXRJI-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.42
Rot. Bonds2

About ethyl 2,5-dihydropyrimidine-4-carboxylate

ethyl 2,5-dihydropyrimidine-4-carboxylate (PubChem CID 91615471) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 2,5-dihydropyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dihydropyrimidine-4-carboxylate
PubChem CID91615471
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 2,5-dihydropyrimidine-4-carboxylate
SMILESCCOC(=O)C1=NCN=CC1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)6-3-4-8-5-9-6/h4H,2-3,5H2,1H3
InChIKeyIBPFYKYUTMXRJI-UHFFFAOYSA-N
XLogP0.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,5-dihydropyrimidine-4-carboxylate 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 ethyl 2,5-dihydropyrimidine-4-carboxylate?
The IUPAC name of ethyl 2,5-dihydropyrimidine-4-carboxylate (CID 91615471) is ethyl 2,5-dihydropyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2,5-dihydropyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2,5-dihydropyrimidine-4-carboxylate is CCOC(=O)C1=NCN=CC1.
What is the InChIKey of ethyl 2,5-dihydropyrimidine-4-carboxylate?
The InChIKey is IBPFYKYUTMXRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)6-3-4-8-5-9-6/h4H,2-3,5H2,1H3.
What are the key properties of ethyl 2,5-dihydropyrimidine-4-carboxylate?
ethyl 2,5-dihydropyrimidine-4-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dihydropyrimidine-4-carboxylate is sourced from PubChem (CID 91615471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).