1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H27N5O3 — CID 3360660

IUPAC1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCCn1ccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H27N5O3/c1-2-15(21-9-6-11-23-12-10-20-13-23)16-17(25)22-19(27)24(18(16)26)14-7-4-3-5-8-14/h10,12-14,26H,2-9,11H2,1H3,(H,22,25,27)/b21-15+
InChIKeyRYWSFLJYQPWHBG-RCCKNPSSSA-N
MW373.46 g/mol
LogP2.23
Rot. Bonds7

About 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3360660) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3360660
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\CCCn1ccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H27N5O3/c1-2-15(21-9-6-11-23-12-10-20-13-23)16-17(25)22-19(27)24(18(16)26)14-7-4-3-5-8-14/h10,12-14,26H,2-9,11H2,1H3,(H,22,25,27)/b21-15+
InChIKeyRYWSFLJYQPWHBG-RCCKNPSSSA-N
XLogP2.23
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
CID 3406725
(5E)-3-cyclohexyl-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
CID 3697065
(5E)-3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 3963998
(5E)-3-butyl-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
CID 4873047
(5E)-1-butyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 5129107
(E)-5-(1-((3-(1H-imidazol-1-yl)propyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 3788102
(5E)-3-butyl-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
CID 3828146
5-[1-(3-Imidazol-1-ylpropylamino)ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 663317
(5E)-1-hexyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
CID 3829696
(5E)-3-cyclohexyl-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 4356131
1-cyclohexyl-5-N-(3-imidazol-1-ylpropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 56860107
5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 3728773

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3360660) is 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\CCCn1ccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RYWSFLJYQPWHBG-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-15(21-9-6-11-23-12-10-20-13-23)16-17(25)22-19(27)24(18(16)26)14-7-4-3-5-8-14/h10,12-14,26H,2-9,11H2,1H3,(H,22,25,27)/b21-15+.
What are the key properties of 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 373.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3360660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).