2,6-dimethylidene-1,3-diazinan-4-one

C6H8N2O — CID 59889553

IUPAC2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NC(=C)N1
InChIInChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h7H,1-3H2,(H,8,9)
InChIKeyHRGSISGRFLHFAM-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.08
Rot. Bonds

About 2,6-dimethylidene-1,3-diazinan-4-one

2,6-dimethylidene-1,3-diazinan-4-one (PubChem CID 59889553) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,6-dimethylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name2,6-dimethylidene-1,3-diazinan-4-one
PubChem CID59889553
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NC(=C)N1
InChIInChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h7H,1-3H2,(H,8,9)
InChIKeyHRGSISGRFLHFAM-UHFFFAOYSA-N
XLogP0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethylidene-1,3-diazinan-4-one 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

6-Methyleneuracil
CID 18673390
5-Fluoro-6-methylidene-1,3-diazinane-2,4-dione
CID 130188362
5-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 60079342
6-Methylidene-2-sulfanylidene-1,3-diazinan-4-one
CID 89341343
6-Methylidene-1,3-diazinan-4-one
CID 121369904
Ethane;5-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143251897
1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
1-Methyl-6-methylidene-1,3-diazinan-4-one
CID 143917902
2,2-Dimethylpropane;6-methylidene-1,3-diazinane-2,4-dione
CID 159081500
6-Ethylidene-1,3-diazinane-2,4-dione
CID 173536296
2,2-Dimethyl-6-methylidene-1,3-diazinan-4-one
CID 153104760
3-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 160554599

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylidene-1,3-diazinan-4-one?
The IUPAC name of 2,6-dimethylidene-1,3-diazinan-4-one (CID 59889553) is 2,6-dimethylidene-1,3-diazinan-4-one.
What is the SMILES notation for 2,6-dimethylidene-1,3-diazinan-4-one?
The canonical SMILES for 2,6-dimethylidene-1,3-diazinan-4-one is C=C1CC(=O)NC(=C)N1.
What is the InChIKey of 2,6-dimethylidene-1,3-diazinan-4-one?
The InChIKey is HRGSISGRFLHFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h7H,1-3H2,(H,8,9).
What are the key properties of 2,6-dimethylidene-1,3-diazinan-4-one?
2,6-dimethylidene-1,3-diazinan-4-one has a molecular weight of 124.14 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylidene-1,3-diazinan-4-one is sourced from PubChem (CID 59889553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).