2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine

C15H20N4 — CID 80754126

IUPAC2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
SMILESCNc1cncc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C15H20N4/c1-12(2)19(11-13-7-5-4-6-8-13)15-10-17-9-14(16-3)18-15/h4-10,12H,11H2,1-3H3,(H,16,18)
InChIKeyVSCRXHVKYTXTHH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.93
Rot. Bonds5

About 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine

2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine (PubChem CID 80754126) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
PubChem CID80754126
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
SMILESCNc1cncc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C15H20N4/c1-12(2)19(11-13-7-5-4-6-8-13)15-10-17-9-14(16-3)18-15/h4-10,12H,11H2,1-3H3,(H,16,18)
InChIKeyVSCRXHVKYTXTHH-UHFFFAOYSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine?
The IUPAC name of 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine (CID 80754126) is 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine is CNc1cncc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine?
The InChIKey is VSCRXHVKYTXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)19(11-13-7-5-4-6-8-13)15-10-17-9-14(16-3)18-15/h4-10,12H,11H2,1-3H3,(H,16,18).
What are the key properties of 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine?
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine is sourced from PubChem (CID 80754126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).