1,5-dimethyl-1,3-diazinan-2-one

C6H12N2O — CID 51000285

IUPAC1,5-dimethyl-1,3-diazinan-2-one
SMILESCC1CNC(=O)N(C)C1
InChIInChI=1S/C6H12N2O/c1-5-3-7-6(9)8(2)4-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyJXLBOVNBPLHYNZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.28
Rot. Bonds

About 1,5-dimethyl-1,3-diazinan-2-one

1,5-dimethyl-1,3-diazinan-2-one (PubChem CID 51000285) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,5-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,5-dimethyl-1,3-diazinan-2-one
PubChem CID51000285
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,5-dimethyl-1,3-diazinan-2-one
SMILESCC1CNC(=O)N(C)C1
InChIInChI=1S/C6H12N2O/c1-5-3-7-6(9)8(2)4-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyJXLBOVNBPLHYNZ-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(aminomethyl)-1-methyl-1,3-diazinan-2-one
CID 83694375
ethane;1,3,5-trimethyl-1,3-diazinan-2-one
CID 154694196
5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
CID 112546349
6-ethyl-3,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84620461
(3R)-1,3,6-trimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 138981432
4-(1-methyl-2-oxo-1,3-diazinan-5-yl)benzoic acid
CID 105494158
7-chloro-3,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84624783
CID 66603050
CID 66603050
(2R)-2,4-dimethyl-1,4-diazepan-5-one
CID 129371680
1,3-dimethyl-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115098429
3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
CID 72770415
5-methylpiperidin-2-one
CID 10877083

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,3-diazinan-2-one?
The IUPAC name of 1,5-dimethyl-1,3-diazinan-2-one (CID 51000285) is 1,5-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 1,5-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for 1,5-dimethyl-1,3-diazinan-2-one is CC1CNC(=O)N(C)C1.
What is the InChIKey of 1,5-dimethyl-1,3-diazinan-2-one?
The InChIKey is JXLBOVNBPLHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-3-7-6(9)8(2)4-5/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 1,5-dimethyl-1,3-diazinan-2-one?
1,5-dimethyl-1,3-diazinan-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 51000285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).