3,6-dihydro-2H-1,3-oxazin-2-amine

C4H8N2O — CID 90375453

IUPAC3,6-dihydro-2H-1,3-oxazin-2-amine
SMILESNC1NC=CCO1
InChIInChI=1S/C4H8N2O/c5-4-6-2-1-3-7-4/h1-2,4,6H,3,5H2
InChIKeyOGZFLHDYFDVDEO-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.64
Rot. Bonds

About 3,6-dihydro-2H-1,3-oxazin-2-amine

3,6-dihydro-2H-1,3-oxazin-2-amine (PubChem CID 90375453) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,6-dihydro-2H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name3,6-dihydro-2H-1,3-oxazin-2-amine
PubChem CID90375453
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3,6-dihydro-2H-1,3-oxazin-2-amine
SMILESNC1NC=CCO1
InChIInChI=1S/C4H8N2O/c5-4-6-2-1-3-7-4/h1-2,4,6H,3,5H2
InChIKeyOGZFLHDYFDVDEO-UHFFFAOYSA-N
XLogP-0.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-1,3-oxazin-2-amine?
The IUPAC name of 3,6-dihydro-2H-1,3-oxazin-2-amine (CID 90375453) is 3,6-dihydro-2H-1,3-oxazin-2-amine.
What is the SMILES notation for 3,6-dihydro-2H-1,3-oxazin-2-amine?
The canonical SMILES for 3,6-dihydro-2H-1,3-oxazin-2-amine is NC1NC=CCO1.
What is the InChIKey of 3,6-dihydro-2H-1,3-oxazin-2-amine?
The InChIKey is OGZFLHDYFDVDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c5-4-6-2-1-3-7-4/h1-2,4,6H,3,5H2.
What are the key properties of 3,6-dihydro-2H-1,3-oxazin-2-amine?
3,6-dihydro-2H-1,3-oxazin-2-amine has a molecular weight of 100.12 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-1,3-oxazin-2-amine is sourced from PubChem (CID 90375453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).