6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine

C13H24N4 — CID 80812473

IUPAC6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C13H24N4/c1-12(2,3)9-13(4,5)17-11-8-15-7-10(14-6)16-11/h7-8H,9H2,1-6H3,(H2,14,16,17)
InChIKeyXQUVZXJXGXZPLP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds4

About 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine

6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine (PubChem CID 80812473) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine
PubChem CID80812473
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C13H24N4/c1-12(2,3)9-13(4,5)17-11-8-15-7-10(14-6)16-11/h7-8H,9H2,1-6H3,(H2,14,16,17)
InChIKeyXQUVZXJXGXZPLP-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine (CID 80812473) is 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine is CNc1cncc(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine?
The InChIKey is XQUVZXJXGXZPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,3)9-13(4,5)17-11-8-15-7-10(14-6)16-11/h7-8H,9H2,1-6H3,(H2,14,16,17).
What are the key properties of 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 80812473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).