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

C5H7N3O2 — CID 14483225

IUPAC6-imino-1-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1C
InChIInChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h6H,2H2,1H3,(H,7,9,10)/b6-3+
InChIKeyZSOJYTAZHGKSKR-ZZXKWVIFSA-N
MW141.13 g/mol
LogP-0.46
Rot. Bonds

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

6-imino-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 14483225) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-imino-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-1-methyl-1,3-diazinane-2,4-dione
PubChem CID14483225
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name6-imino-1-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)NC(=O)N1C
InChIInChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h6H,2H2,1H3,(H,7,9,10)/b6-3+
InChIKeyZSOJYTAZHGKSKR-ZZXKWVIFSA-N
XLogP-0.46
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.46
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

Pyrimidine, 2,4-dihydroxy-6-amino
CID 137321682
Dihydro-6-imino-1,3-dimethyluracil
CID 87278
1-Methyl-2,4-dioxohexahydro-5-pyrimidinecarboximidamide
CID 2766696
1-Butyl-6-imino-1,3-diazinane-2,4-dione
CID 134870171
1-Methyl-6-propan-2-ylimino-1,3-diazinane-2,4-dione
CID 145924383
1-Methanimidoyl-1,3-diazinane-2,4,6-trione
CID 118951808
6-Methylimino-1,3-diazinane-2,4-dione
CID 136622886
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
5-Bromo-6-imino-3-methyl-1,3-diazinane-2,4-dione
CID 140537497
3-[2-(Dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
CID 140537498
6-Imino-5-methyl-1,3-diazinane-2,4-dione
CID 144031976

Frequently Asked Questions

What is the IUPAC name of 6-imino-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-1-methyl-1,3-diazinane-2,4-dione (CID 14483225) is 6-imino-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-1-methyl-1,3-diazinane-2,4-dione is [H]/N=C1\CC(=O)NC(=O)N1C.
What is the InChIKey of 6-imino-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is ZSOJYTAZHGKSKR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h6H,2H2,1H3,(H,7,9,10)/b6-3+.
What are the key properties of 6-imino-1-methyl-1,3-diazinane-2,4-dione?
6-imino-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 14483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).