2H-pyran-2,6-diamine

C5H8N2O — CID 19935267

IUPAC2H-pyran-2,6-diamine
SMILESNC1=CC=CC(N)O1
InChIInChI=1S/C5H8N2O/c6-4-2-1-3-5(7)8-4/h1-4H,6-7H2
InChIKeyHXWBEVKZEDQWLS-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.34
Rot. Bonds

About 2H-pyran-2,6-diamine

2H-pyran-2,6-diamine (PubChem CID 19935267) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2H-pyran-2,6-diamine.

Molecular Properties

Compound Name2H-pyran-2,6-diamine
PubChem CID19935267
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2H-pyran-2,6-diamine
SMILESNC1=CC=CC(N)O1
InChIInChI=1S/C5H8N2O/c6-4-2-1-3-5(7)8-4/h1-4H,6-7H2
InChIKeyHXWBEVKZEDQWLS-UHFFFAOYSA-N
XLogP-0.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,6-diamine?
The IUPAC name of 2H-pyran-2,6-diamine (CID 19935267) is 2H-pyran-2,6-diamine.
What is the SMILES notation for 2H-pyran-2,6-diamine?
The canonical SMILES for 2H-pyran-2,6-diamine is NC1=CC=CC(N)O1.
What is the InChIKey of 2H-pyran-2,6-diamine?
The InChIKey is HXWBEVKZEDQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-4-2-1-3-5(7)8-4/h1-4H,6-7H2.
What are the key properties of 2H-pyran-2,6-diamine?
2H-pyran-2,6-diamine has a molecular weight of 112.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,6-diamine is sourced from PubChem (CID 19935267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).