ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate

C14H16N4O2 — CID 21220622

IUPACethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NN)nc1Cc1ccccc1
InChIInChI=1S/C14H16N4O2/c1-2-20-13(19)11-9-16-14(18-15)17-12(11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3,(H,16,17,18)
InChIKeyBVZKWPMMRNQIJR-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.53
Rot. Bonds5

About ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate

ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate (PubChem CID 21220622) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate
PubChem CID21220622
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NN)nc1Cc1ccccc1
InChIInChI=1S/C14H16N4O2/c1-2-20-13(19)11-9-16-14(18-15)17-12(11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3,(H,16,17,18)
InChIKeyBVZKWPMMRNQIJR-UHFFFAOYSA-N
XLogP1.53
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-benzyl-2-hydrazinylpyrimidine-5-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 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate (CID 21220622) is ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NN)nc1Cc1ccccc1.
What is the InChIKey of ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate?
The InChIKey is BVZKWPMMRNQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-13(19)11-9-16-14(18-15)17-12(11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3,(H,16,17,18).
What are the key properties of ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate?
ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate is sourced from PubChem (CID 21220622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).