1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one

C15H22N4O3S — CID 135420800

IUPAC1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
SMILESO=c1[nH]c(=S)n(C2CCCCC2)c(O)c1/C=N/N1CCOCC1
InChIInChI=1S/C15H22N4O3S/c20-13-12(10-16-18-6-8-22-9-7-18)14(21)19(15(23)17-13)11-4-2-1-3-5-11/h10-11,21H,1-9H2,(H,17,20,23)/b16-10+
InChIKeySGMSXDRMGISJNH-MHWRWJLKSA-N
MW338.43 g/mol
LogP1.78
Rot. Bonds3

About 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one

1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one (PubChem CID 135420800) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
PubChem CID135420800
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
SMILESO=c1[nH]c(=S)n(C2CCCCC2)c(O)c1/C=N/N1CCOCC1
InChIInChI=1S/C15H22N4O3S/c20-13-12(10-16-18-6-8-22-9-7-18)14(21)19(15(23)17-13)11-4-2-1-3-5-11/h10-11,21H,1-9H2,(H,17,20,23)/b16-10+
InChIKeySGMSXDRMGISJNH-MHWRWJLKSA-N
XLogP1.78
TPSA82.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-6-hydroxy-5-(morpholin-4-yliminomethyl)-2-sulfanylidenepyrimidin-4-one
CID 1385246
1-(3-chlorophenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135485069
5-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-1-cyclohexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 1402781
1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135485078
1-(2-fluorophenyl)-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135421004
1-(3,4-dimethylphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-2,4-dione
CID 135469742
1-[(1-cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-3-phenylthiourea
CID 4551023
6-hydroxy-1-(3-methylphenyl)-5-[(E)-piperidin-1-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135493355
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(morpholin-4-yliminomethyl)pyrimidine-2,4-dione
CID 1399658
1-(4-fluorophenyl)-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135420673
N-[(E)-(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]heptanamide
CID 135473985
methyl 2-[(1-cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-3-(1H-indol-3-yl)propanoate
CID 5160484

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one (CID 135420800) is 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one is O=c1[nH]c(=S)n(C2CCCCC2)c(O)c1/C=N/N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one?
The InChIKey is SGMSXDRMGISJNH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-13-12(10-16-18-6-8-22-9-7-18)14(21)19(15(23)17-13)11-4-2-1-3-5-11/h10-11,21H,1-9H2,(H,17,20,23)/b16-10+.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one?
1-cyclohexyl-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one has a molecular weight of 338.43 g/mol, XLogP of 1.78, 3 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-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 135420800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).