6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine

C11H19N5 — CID 80791828

IUPAC6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCC2CCN(C)C2)n1
InChIInChI=1S/C11H19N5/c1-12-10-6-13-7-11(15-10)14-5-9-3-4-16(2)8-9/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14,15)
InChIKeySYDJXJVEFKROHW-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.88
Rot. Bonds4

About 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine

6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine (PubChem CID 80791828) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
PubChem CID80791828
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCC2CCN(C)C2)n1
InChIInChI=1S/C11H19N5/c1-12-10-6-13-7-11(15-10)14-5-9-3-4-16(2)8-9/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14,15)
InChIKeySYDJXJVEFKROHW-UHFFFAOYSA-N
XLogP0.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine (CID 80791828) is 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine is CNc1cncc(NCC2CCN(C)C2)n1.
What is the InChIKey of 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
The InChIKey is SYDJXJVEFKROHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-12-10-6-13-7-11(15-10)14-5-9-3-4-16(2)8-9/h6-7,9H,3-5,8H2,1-2H3,(H2,12,14,15).
What are the key properties of 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80791828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).