2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine

C9H16N4O — CID 115658507

IUPAC2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine
SMILESCOC(C)(C)CNc1cncc(N)n1
InChIInChI=1S/C9H16N4O/c1-9(2,14-3)6-12-8-5-11-4-7(10)13-8/h4-5H,6H2,1-3H3,(H3,10,12,13)
InChIKeyPBULTVLSRVDOBM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds4

About 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine

2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine (PubChem CID 115658507) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine
PubChem CID115658507
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine
SMILESCOC(C)(C)CNc1cncc(N)n1
InChIInChI=1S/C9H16N4O/c1-9(2,14-3)6-12-8-5-11-4-7(10)13-8/h4-5H,6H2,1-3H3,(H3,10,12,13)
InChIKeyPBULTVLSRVDOBM-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
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-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine (CID 115658507) is 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine is COC(C)(C)CNc1cncc(N)n1.
What is the InChIKey of 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine?
The InChIKey is PBULTVLSRVDOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,14-3)6-12-8-5-11-4-7(10)13-8/h4-5H,6H2,1-3H3,(H3,10,12,13).
What are the key properties of 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine?
2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine is sourced from PubChem (CID 115658507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).