1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one

C9H18N2O2 — CID 130008471

IUPAC1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one
SMILESCC1CC(OC(C)C)N(C)C(=O)N1
InChIInChI=1S/C9H18N2O2/c1-6(2)13-8-5-7(3)10-9(12)11(8)4/h6-8H,5H2,1-4H3,(H,10,12)
InChIKeyUMYITGYOYKUTID-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.17
Rot. Bonds2

About 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one

1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one (PubChem CID 130008471) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one
PubChem CID130008471
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one
SMILESCC1CC(OC(C)C)N(C)C(=O)N1
InChIInChI=1S/C9H18N2O2/c1-6(2)13-8-5-7(3)10-9(12)11(8)4/h6-8H,5H2,1-4H3,(H,10,12)
InChIKeyUMYITGYOYKUTID-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one?
The IUPAC name of 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one (CID 130008471) is 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one.
What is the SMILES notation for 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one?
The canonical SMILES for 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one is CC1CC(OC(C)C)N(C)C(=O)N1.
What is the InChIKey of 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one?
The InChIKey is UMYITGYOYKUTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)13-8-5-7(3)10-9(12)11(8)4/h6-8H,5H2,1-4H3,(H,10,12).
What are the key properties of 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one?
1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-propan-2-yloxy-1,3-diazinan-2-one is sourced from PubChem (CID 130008471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).