4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one

C8H16N2O2 — CID 70568883

IUPAC4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one
SMILESCC(C)(C)OC1CCNC(=O)N1
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-6-4-5-9-7(11)10-6/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyAUTHJOBSBYFBDQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.83
Rot. Bonds1

About 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one

4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one (PubChem CID 70568883) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one
PubChem CID70568883
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one
SMILESCC(C)(C)OC1CCNC(=O)N1
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-6-4-5-9-7(11)10-6/h6H,4-5H2,1-3H3,(H2,9,10,11)
InChIKeyAUTHJOBSBYFBDQ-UHFFFAOYSA-N
XLogP0.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one (CID 70568883) is 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one is CC(C)(C)OC1CCNC(=O)N1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one?
The InChIKey is AUTHJOBSBYFBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)12-6-4-5-9-7(11)10-6/h6H,4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one?
4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-1,3-diazinan-2-one is sourced from PubChem (CID 70568883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).