4,6-dimethyl-2H-1,3-oxazine

C6H9NO — CID 59189020

IUPAC4,6-dimethyl-2H-1,3-oxazine
SMILESCC1=CC(C)=NCO1
InChIInChI=1S/C6H9NO/c1-5-3-6(2)8-4-7-5/h3H,4H2,1-2H3
InChIKeyOLLCGZKIXBHRAQ-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.34
Rot. Bonds

About 4,6-dimethyl-2H-1,3-oxazine

4,6-dimethyl-2H-1,3-oxazine (PubChem CID 59189020) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4,6-dimethyl-2H-1,3-oxazine.

Molecular Properties

Compound Name4,6-dimethyl-2H-1,3-oxazine
PubChem CID59189020
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4,6-dimethyl-2H-1,3-oxazine
SMILESCC1=CC(C)=NCO1
InChIInChI=1S/C6H9NO/c1-5-3-6(2)8-4-7-5/h3H,4H2,1-2H3
InChIKeyOLLCGZKIXBHRAQ-UHFFFAOYSA-N
XLogP1.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2H-1,3-oxazine?
The IUPAC name of 4,6-dimethyl-2H-1,3-oxazine (CID 59189020) is 4,6-dimethyl-2H-1,3-oxazine.
What is the SMILES notation for 4,6-dimethyl-2H-1,3-oxazine?
The canonical SMILES for 4,6-dimethyl-2H-1,3-oxazine is CC1=CC(C)=NCO1.
What is the InChIKey of 4,6-dimethyl-2H-1,3-oxazine?
The InChIKey is OLLCGZKIXBHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-6(2)8-4-7-5/h3H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-2H-1,3-oxazine?
4,6-dimethyl-2H-1,3-oxazine has a molecular weight of 111.14 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2H-1,3-oxazine is sourced from PubChem (CID 59189020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).