2-N-tert-butylpyrazine-2,6-diamine

C8H14N4 — CID 80646753

IUPAC2-N-tert-butylpyrazine-2,6-diamine
SMILESCC(C)(C)Nc1cncc(N)n1
InChIInChI=1S/C8H14N4/c1-8(2,3)12-7-5-10-4-6(9)11-7/h4-5H,1-3H3,(H3,9,11,12)
InChIKeyMFVFFJHNXCPNLE-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.27
Rot. Bonds1

About 2-N-tert-butylpyrazine-2,6-diamine

2-N-tert-butylpyrazine-2,6-diamine (PubChem CID 80646753) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-N-tert-butylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butylpyrazine-2,6-diamine
PubChem CID80646753
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-N-tert-butylpyrazine-2,6-diamine
SMILESCC(C)(C)Nc1cncc(N)n1
InChIInChI=1S/C8H14N4/c1-8(2,3)12-7-5-10-4-6(9)11-7/h4-5H,1-3H3,(H3,9,11,12)
InChIKeyMFVFFJHNXCPNLE-UHFFFAOYSA-N
XLogP1.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butylpyrazine-2,6-diamine?
The IUPAC name of 2-N-tert-butylpyrazine-2,6-diamine (CID 80646753) is 2-N-tert-butylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-tert-butylpyrazine-2,6-diamine is CC(C)(C)Nc1cncc(N)n1.
What is the InChIKey of 2-N-tert-butylpyrazine-2,6-diamine?
The InChIKey is MFVFFJHNXCPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(2,3)12-7-5-10-4-6(9)11-7/h4-5H,1-3H3,(H3,9,11,12).
What are the key properties of 2-N-tert-butylpyrazine-2,6-diamine?
2-N-tert-butylpyrazine-2,6-diamine has a molecular weight of 166.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butylpyrazine-2,6-diamine is sourced from PubChem (CID 80646753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).