2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine

C10H16N4O — CID 78989247

IUPAC2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC2CCOCC2)n1
InChIInChI=1S/C10H16N4O/c11-9-6-12-7-10(14-9)13-5-8-1-3-15-4-2-8/h6-8H,1-5H2,(H3,11,13,14)
InChIKeyMXBIBRXOPBIFGE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds3

About 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine

2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine (PubChem CID 78989247) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
PubChem CID78989247
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC2CCOCC2)n1
InChIInChI=1S/C10H16N4O/c11-9-6-12-7-10(14-9)13-5-8-1-3-15-4-2-8/h6-8H,1-5H2,(H3,11,13,14)
InChIKeyMXBIBRXOPBIFGE-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine (CID 78989247) is 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine is Nc1cncc(NCC2CCOCC2)n1.
What is the InChIKey of 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is MXBIBRXOPBIFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-6-12-7-10(14-9)13-5-8-1-3-15-4-2-8/h6-8H,1-5H2,(H3,11,13,14).
What are the key properties of 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine?
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 78989247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).