1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione

C23H24N4O5 — CID 1329236

IUPAC1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H24N4O5/c1-2-32-19-9-7-18(8-10-19)27-22(29)20(21(28)25-23(27)30)15-24-16-3-5-17(6-4-16)26-11-13-31-14-12-26/h3-10,15,29H,2,11-14H2,1H3,(H,25,28,30)/b24-15+
InChIKeyZWASMZFGLZXXRA-BUVRLJJBSA-N
MW436.47 g/mol
LogP2.22
Rot. Bonds6

About 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione

1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1329236) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1329236
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H24N4O5/c1-2-32-19-9-7-18(8-10-19)27-22(29)20(21(28)25-23(27)30)15-24-16-3-5-17(6-4-16)26-11-13-31-14-12-26/h3-10,15,29H,2,11-14H2,1H3,(H,25,28,30)/b24-15+
InChIKeyZWASMZFGLZXXRA-BUVRLJJBSA-N
XLogP2.22
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 1329236) is 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione is CCOc1ccc(-n2c(O)c(/C=N/c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is ZWASMZFGLZXXRA-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-32-19-9-7-18(8-10-19)27-22(29)20(21(28)25-23(27)30)15-24-16-3-5-17(6-4-16)26-11-13-31-14-12-26/h3-10,15,29H,2,11-14H2,1H3,(H,25,28,30)/b24-15+.
What are the key properties of 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 436.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1329236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).