1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C18H28N4O3 — CID 135821954

IUPAC1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\N1CCCCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O3/c1-2-14(20-21-11-7-4-8-12-21)15-16(23)19-18(25)22(17(15)24)13-9-5-3-6-10-13/h13,24H,2-12H2,1H3,(H,19,23,25)/b20-14+
InChIKeyCBJVCKNMLGQBPF-XSFVSMFZSA-N
MW348.45 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 135821954) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID135821954
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\N1CCCCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O3/c1-2-14(20-21-11-7-4-8-12-21)15-16(23)19-18(25)22(17(15)24)13-9-5-3-6-10-13/h13,24H,2-12H2,1H3,(H,19,23,25)/b20-14+
InChIKeyCBJVCKNMLGQBPF-XSFVSMFZSA-N
XLogP2.35
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135493430
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
5-[N-(azepan-1-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3345557
5-[N-(azepan-1-yl)-C-ethylcarbonimidoyl]-1-butyl-6-hydroxypyrimidine-2,4-dione
CID 3709684
1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 3749603
1-cyclohexyl-5-[N-[2-(diethylamino)ethylamino]-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3743763
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 135450512
1-cyclohexyl-5-(N-cyclopropyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 937819
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylurea
CID 3593686
1-[1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3703478
1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3360660
1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 4594904

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 135821954) is 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\N1CCCCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CBJVCKNMLGQBPF-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-14(20-21-11-7-4-8-12-21)15-16(23)19-18(25)22(17(15)24)13-9-5-3-6-10-13/h13,24H,2-12H2,1H3,(H,19,23,25)/b20-14+.
What are the key properties of 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 348.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135821954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).