1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C18H29N5O3 — CID 135493430

IUPAC1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\N1CCN(C)CC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H29N5O3/c1-3-14(20-22-11-9-21(2)10-12-22)15-16(24)19-18(26)23(17(15)25)13-7-5-4-6-8-13/h13,25H,3-12H2,1-2H3,(H,19,24,26)/b20-14+
InChIKeyJPRIYJSPDCTAGO-XSFVSMFZSA-N
MW363.46 g/mol
LogP1.11
Rot. Bonds4

About 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 135493430) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID135493430
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\N1CCN(C)CC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H29N5O3/c1-3-14(20-22-11-9-21(2)10-12-22)15-16(24)19-18(26)23(17(15)25)13-7-5-4-6-8-13/h13,25H,3-12H2,1-2H3,(H,19,24,26)/b20-14+
InChIKeyJPRIYJSPDCTAGO-XSFVSMFZSA-N
XLogP1.11
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-6-hydroxy-5-[C-methyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 3833960
1-cyclohexyl-5-[N-[3-(diethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 4368074
(5E)-3-cyclohexyl-6-hydroxy-5-(1-{[2-(morpholin-4-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
CID 3734626
1-Allyl-5-[1-(4-methyl-piperazin-1-ylamino)-eth-(Z)-ylidene]-pyrimidine-2,4,6-trione
CID 135485075
1,3-dimethyl-5-(1-((2-(piperidin-1-yl)ethyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 658853
1-butyl-5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3449775
5-[1-(4-Methyl-piperazin-1-ylamino)-propylidene]-pyrimidine-2,4,6-trione
CID 135451656
5-[1-(Piperidin-1-ylamino)-ethylidene]-pyrimidine-2,4,6-trione
CID 135451671
5-[1-(Piperidin-1-ylamino)-propylidene]-pyrimidine-2,4,6-trione
CID 135420772
1-Allyl-5-[1-(piperidin-1-ylamino)-eth-(Z)-ylidene]-pyrimidine-2,4,6-trione
CID 135475567
(5E)-5-[1-(azepan-1-ylamino)ethylidene]-3-cyclohexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 135624966
5-[1-(4-Methyl-piperazin-1-ylamino)-ethylidene]-pyrimidine-2,4,6-trione
CID 135493362

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 135493430) is 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\N1CCN(C)CC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is JPRIYJSPDCTAGO-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-3-14(20-22-11-9-21(2)10-12-22)15-16(24)19-18(26)23(17(15)25)13-7-5-4-6-8-13/h13,25H,3-12H2,1-2H3,(H,19,24,26)/b20-14+.
What are the key properties of 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(E)-C-ethyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135493430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).