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

C23H26N4O4 — CID 659890

IUPAC5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(N(CC)CC)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H26N4O4/c1-4-26(5-2)17-9-7-16(8-10-17)24-15-20-21(28)25-23(30)27(22(20)29)18-11-13-19(14-12-18)31-6-3/h7-15,29H,4-6H2,1-3H3,(H,25,28,30)/b24-15+
InChIKeyGTXIVKUVSWIACG-BUVRLJJBSA-N
MW422.49 g/mol
LogP3.23
Rot. Bonds8

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

5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 659890) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID659890
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(N(CC)CC)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H26N4O4/c1-4-26(5-2)17-9-7-16(8-10-17)24-15-20-21(28)25-23(30)27(22(20)29)18-11-13-19(14-12-18)31-6-3/h7-15,29H,4-6H2,1-3H3,(H,25,28,30)/b24-15+
InChIKeyGTXIVKUVSWIACG-BUVRLJJBSA-N
XLogP3.23
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione (CID 659890) is 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is CCOc1ccc(-n2c(O)c(/C=N/c3ccc(N(CC)CC)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GTXIVKUVSWIACG-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-4-26(5-2)17-9-7-16(8-10-17)24-15-20-21(28)25-23(30)27(22(20)29)18-11-13-19(14-12-18)31-6-3/h7-15,29H,4-6H2,1-3H3,(H,25,28,30)/b24-15+.
What are the key properties of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 422.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).