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

C21H26N4O4 — CID 4586252

IUPAC1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)c(O)c1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O4/c26-19-18(20(27)25(21(28)23-19)17-4-2-1-3-5-17)14-22-15-6-8-16(9-7-15)24-10-12-29-13-11-24/h6-9,14,17,27H,1-5,10-13H2,(H,23,26,28)/b22-14+
InChIKeyFXIXONIMIMHMAQ-HYARGMPZSA-N
MW398.46 g/mol
LogP2.33
Rot. Bonds4

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

1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 4586252) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID4586252
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)c(O)c1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O4/c26-19-18(20(27)25(21(28)23-19)17-4-2-1-3-5-17)14-22-15-6-8-16(9-7-15)24-10-12-29-13-11-24/h6-9,14,17,27H,1-5,10-13H2,(H,23,26,28)/b22-14+
InChIKeyFXIXONIMIMHMAQ-HYARGMPZSA-N
XLogP2.33
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.33
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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Related Compounds

(E)-N-(4-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)phenyl)acetamide
CID 937012
5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
(5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 3996087
(5Z)-3-(3-chlorophenyl)-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 662444
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
1,3-Diethyl-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 988543
5-[[4-(4-Morpholinylmethyl)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 1399429
(5E)-1-(4-methylphenyl)-5-[(2-morpholin-4-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione
CID 1599207
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
(5E)-1-hexyl-5-[(2-morpholin-4-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2065001
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525
(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3381553

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 4586252) is 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is FXIXONIMIMHMAQ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-19-18(20(27)25(21(28)23-19)17-4-2-1-3-5-17)14-22-15-6-8-16(9-7-15)24-10-12-29-13-11-24/h6-9,14,17,27H,1-5,10-13H2,(H,23,26,28)/b22-14+.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 398.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).