2-N-pentan-2-ylpyrazine-2,6-diamine

C9H16N4 — CID 78988938

IUPAC2-N-pentan-2-ylpyrazine-2,6-diamine
SMILESCCCC(C)Nc1cncc(N)n1
InChIInChI=1S/C9H16N4/c1-3-4-7(2)12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H3,10,12,13)
InChIKeyPIBRHUQEIIRZQM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds4

About 2-N-pentan-2-ylpyrazine-2,6-diamine

2-N-pentan-2-ylpyrazine-2,6-diamine (PubChem CID 78988938) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-pentan-2-ylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-pentan-2-ylpyrazine-2,6-diamine
PubChem CID78988938
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N-pentan-2-ylpyrazine-2,6-diamine
SMILESCCCC(C)Nc1cncc(N)n1
InChIInChI=1S/C9H16N4/c1-3-4-7(2)12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H3,10,12,13)
InChIKeyPIBRHUQEIIRZQM-UHFFFAOYSA-N
XLogP1.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(dimethylamino)propan-2-yl]pyrazine-2,6-diamine
CID 82949803
N-pentan-2-ylpyrazin-2-amine
CID 43107057
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
2-N-ethylpyrazine-2,6-diamine
CID 69290778
5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600
4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 78929734
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844
3-N-(6-ethoxypyrazin-2-yl)butane-1,3-diamine
CID 83179069
2-N-(2,2,3-trimethylbutyl)pyrazine-2,6-diamine
CID 102609033
2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine
CID 78999111
6-pentan-2-yloxypyrazin-2-amine
CID 102988494
6-N-ethyl-2-N-(4-methoxybutan-2-yl)pyrazine-2,6-diamine
CID 78916118

Frequently Asked Questions

What is the IUPAC name of 2-N-pentan-2-ylpyrazine-2,6-diamine?
The IUPAC name of 2-N-pentan-2-ylpyrazine-2,6-diamine (CID 78988938) is 2-N-pentan-2-ylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-pentan-2-ylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-pentan-2-ylpyrazine-2,6-diamine is CCCC(C)Nc1cncc(N)n1.
What is the InChIKey of 2-N-pentan-2-ylpyrazine-2,6-diamine?
The InChIKey is PIBRHUQEIIRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-4-7(2)12-9-6-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3,(H3,10,12,13).
What are the key properties of 2-N-pentan-2-ylpyrazine-2,6-diamine?
2-N-pentan-2-ylpyrazine-2,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentan-2-ylpyrazine-2,6-diamine is sourced from PubChem (CID 78988938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).