5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

C14H22N2O3 — CID 2461

💊View drug profile → bucolome
IUPAC5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)
InChIKeyDVEQCIBLXRSYPH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.20
Rot. Bonds4

About 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione (PubChem CID 2461) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
PubChem CID2461
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)
InChIKeyDVEQCIBLXRSYPH-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~1~-cyclohexyl-1,3-piperidinedicarboxamide
CID 2947158
1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 3222855
1-Cyclohexyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678006
1-Cyclohexyl-5-ethylbarbituric acid
CID 13276
1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 3155800
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
Barbituric acid, 1,3-dicyclohexyl-5-propyl-
CID 12935
Barbituric acid, 1,3-dicyclohexyl-5-isobutyl-
CID 12940
Barbituric acid, 5-butyl-1,3-dicyclohexyl-
CID 12941
3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267
Barbituric acid, 1-cyclohexyl-5-(1-methylbutyl)-
CID 13300
Barbituric acid, 1,5-dicyclohexyl-
CID 13306

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione (CID 2461) is 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione is CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DVEQCIBLXRSYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19).
What are the key properties of 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione?
5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 266.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).