5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione

C19H26N4O4 — CID 559518

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/CCN(CC)CC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H26N4O4/c1-4-22(5-2)12-11-20-13-16-17(24)21-19(26)23(18(16)25)14-7-9-15(10-8-14)27-6-3/h7-10,13,25H,4-6,11-12H2,1-3H3,(H,21,24,26)/b20-13+
InChIKeyCHGKQZOQSNECEX-DEDYPNTBSA-N
MW374.44 g/mol
LogP1.39
Rot. Bonds9

About 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione

5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 559518) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID559518
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/CCN(CC)CC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H26N4O4/c1-4-22(5-2)12-11-20-13-16-17(24)21-19(26)23(18(16)25)14-7-9-15(10-8-14)27-6-3/h7-10,13,25H,4-6,11-12H2,1-3H3,(H,21,24,26)/b20-13+
InChIKeyCHGKQZOQSNECEX-DEDYPNTBSA-N
XLogP1.39
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-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 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione (CID 559518) is 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is CCOc1ccc(-n2c(O)c(/C=N/CCN(CC)CC)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CHGKQZOQSNECEX-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-22(5-2)12-11-20-13-16-17(24)21-19(26)23(18(16)25)14-7-9-15(10-8-14)27-6-3/h7-10,13,25H,4-6,11-12H2,1-3H3,(H,21,24,26)/b20-13+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 559518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).