1-butyl-6-imino-1,3-diazinane-2,4-dione

C8H13N3O2 — CID 134870171

IUPAC1-butyl-6-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1CCCC
InChIInChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h9H,2-5H2,1H3,(H,10,12,13)/b9-6+
InChIKeyFWAAEKBNSZQVTO-RMKNXTFCSA-N
MW183.21 g/mol
LogP0.71
Rot. Bonds3

About 1-butyl-6-imino-1,3-diazinane-2,4-dione

1-butyl-6-imino-1,3-diazinane-2,4-dione (PubChem CID 134870171) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-butyl-6-imino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-imino-1,3-diazinane-2,4-dione
PubChem CID134870171
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-butyl-6-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1CCCC
InChIInChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h9H,2-5H2,1H3,(H,10,12,13)/b9-6+
InChIKeyFWAAEKBNSZQVTO-RMKNXTFCSA-N
XLogP0.71
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydro-6-imino-1,3-dimethyluracil
CID 87278
1-Methyl-2,4-dioxohexahydro-5-pyrimidinecarboximidamide
CID 2766696
1-Ethyl-3-methyl-6-methylimino-1,3-diazinane-2,4-dione
CID 145918450
1-Methyl-6-propan-2-ylimino-1,3-diazinane-2,4-dione
CID 145924383
6-Imino-1-methyl-1,3-diazinane-2,4-dione
CID 14483225
5-Bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione
CID 140537494
6-Imino-3-propyl-1,3-diazinane-2,4-dione
CID 140537496
3-[2-(Dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
CID 140537498
6-Imino-3-methyl-1,3-diazinane-2,4-dione
CID 145724178
CID 173382651
CID 173382651
CID 173481602
CID 173481602
[amino-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]methylidene]azanium
CID 6933599

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-imino-1,3-diazinane-2,4-dione?
The IUPAC name of 1-butyl-6-imino-1,3-diazinane-2,4-dione (CID 134870171) is 1-butyl-6-imino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-butyl-6-imino-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-butyl-6-imino-1,3-diazinane-2,4-dione is [H]/N=C1\CC(=O)NC(=O)N1CCCC.
What is the InChIKey of 1-butyl-6-imino-1,3-diazinane-2,4-dione?
The InChIKey is FWAAEKBNSZQVTO-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h9H,2-5H2,1H3,(H,10,12,13)/b9-6+.
What are the key properties of 1-butyl-6-imino-1,3-diazinane-2,4-dione?
1-butyl-6-imino-1,3-diazinane-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-imino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 134870171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).