1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione

C23H24N4O4 — CID 1399429

IUPAC1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=N/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24N4O4/c28-21-20(22(29)27(23(30)25-21)16-17-4-2-1-3-5-17)14-24-19-8-6-18(7-9-19)15-26-10-12-31-13-11-26/h1-9,14,29H,10-13,15-16H2,(H,25,28,30)/b24-14+
InChIKeyVQQPXJJIATUYQF-ZVHZXABRSA-N
MW420.47 g/mol
LogP1.87
Rot. Bonds6

About 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione

1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione (PubChem CID 1399429) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
PubChem CID1399429
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=N/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24N4O4/c28-21-20(22(29)27(23(30)25-21)16-17-4-2-1-3-5-17)14-24-19-8-6-18(7-9-19)15-26-10-12-31-13-11-26/h1-9,14,29H,10-13,15-16H2,(H,25,28,30)/b24-14+
InChIKeyVQQPXJJIATUYQF-ZVHZXABRSA-N
XLogP1.87
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-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

Related Compounds

(5E)-1-(4-methylphenyl)-5-[(2-morpholin-4-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione
CID 1599207
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525
(5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
CID 3721474
(5E)-5-[[4-(4-acetylpiperazin-1-yl)anilino]methylidene]-1-benzyl-1,3-diazinane-2,4,6-trione
CID 4394541
1-cyclohexyl-5-({[4-(4-morpholinyl)phenyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 4586252
(E)-1-allyl-5-(((4-(piperidin-1-ylmethyl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 1415078
(5Z)-6-hydroxy-3-(2-methylphenyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1559615
(5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[3-(morpholin-4-yl)propyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
CID 5141977
(5E)-3-benzyl-6-hydroxy-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1553292
(5Z)-6-hydroxy-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-3-(2,4,6-trimethylphenyl)pyrimidine-2,4(3H,5H)-dione
CID 1922089
1-benzyl-6-hydroxy-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]pyrimidine-2,4-dione
CID 3787404
(5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[2-(morpholin-4-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
CID 3798836

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione (CID 1399429) is 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=N/c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The InChIKey is VQQPXJJIATUYQF-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-21-20(22(29)27(23(30)25-21)16-17-4-2-1-3-5-17)14-24-19-8-6-18(7-9-19)15-26-10-12-31-13-11-26/h1-9,14,29H,10-13,15-16H2,(H,25,28,30)/b24-14+.
What are the key properties of 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione has a molecular weight of 420.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1399429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).