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

C7H14N2O — CID 55283878

IUPAC4,4,6-trimethyl-1,3-diazinan-2-one
SMILESCC1CC(C)(C)NC(=O)N1
InChIInChI=1S/C7H14N2O/c1-5-4-7(2,3)9-6(10)8-5/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyCURLPVAVUHFYGB-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.86
Rot. Bonds

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

4,4,6-trimethyl-1,3-diazinan-2-one (PubChem CID 55283878) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,4,6-trimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4,4,6-trimethyl-1,3-diazinan-2-one
PubChem CID55283878
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4,4,6-trimethyl-1,3-diazinan-2-one
SMILESCC1CC(C)(C)NC(=O)N1
InChIInChI=1S/C7H14N2O/c1-5-4-7(2,3)9-6(10)8-5/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyCURLPVAVUHFYGB-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1,3-diazinan-2-one?
The IUPAC name of 4,4,6-trimethyl-1,3-diazinan-2-one (CID 55283878) is 4,4,6-trimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 4,4,6-trimethyl-1,3-diazinan-2-one?
The canonical SMILES for 4,4,6-trimethyl-1,3-diazinan-2-one is CC1CC(C)(C)NC(=O)N1.
What is the InChIKey of 4,4,6-trimethyl-1,3-diazinan-2-one?
The InChIKey is CURLPVAVUHFYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-4-7(2,3)9-6(10)8-5/h5H,4H2,1-3H3,(H2,8,9,10).
What are the key properties of 4,4,6-trimethyl-1,3-diazinan-2-one?
4,4,6-trimethyl-1,3-diazinan-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 55283878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).