1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

C18H28N4O4 — CID 4594904

IUPAC1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-13(19-7-8-21-9-11-26-12-10-21)15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h14,24H,2-12H2,1H3,(H,20,23,25)/b19-13+
InChIKeyLKZVRERIAKRJOQ-CPNJWEJPSA-N
MW364.45 g/mol
LogP0.89
Rot. Bonds5

About 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 4594904) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID4594904
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-13(19-7-8-21-9-11-26-12-10-21)15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h14,24H,2-12H2,1H3,(H,20,23,25)/b19-13+
InChIKeyLKZVRERIAKRJOQ-CPNJWEJPSA-N
XLogP0.89
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 1400115
1-cyclohexyl-5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 937819
1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135493430
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
CID 3795137
1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135821954
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide
CID 135498934
1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
CID 4254295
5-[N-[2-(4-acetylpiperazin-1-yl)ethyl]-C-methylcarbonimidoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 3782276
1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3360660
1-benzyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812444
1-cyclohexyl-5-[N-[2-(diethylamino)ethylamino]-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3743763

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione (CID 4594904) is 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione is C/C(=N\CCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is LKZVRERIAKRJOQ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(19-7-8-21-9-11-26-12-10-21)15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h14,24H,2-12H2,1H3,(H,20,23,25)/b19-13+.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 0.89, 5 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-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4594904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).