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

C12H21N5 — CID 80848914

IUPAC2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
SMILESCNc1cncc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C12H21N5/c1-13-11-7-14-8-12(15-11)17(3)9-10-5-4-6-16(10)2/h7-8,10H,4-6,9H2,1-3H3,(H,13,15)
InChIKeyQLMSJPGUSYCOED-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.05
Rot. Bonds4

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

2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine (PubChem CID 80848914) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
PubChem CID80848914
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
SMILESCNc1cncc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C12H21N5/c1-13-11-7-14-8-12(15-11)17(3)9-10-5-4-6-16(10)2/h7-8,10H,4-6,9H2,1-3H3,(H,13,15)
InChIKeyQLMSJPGUSYCOED-UHFFFAOYSA-N
XLogP1.05
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine (CID 80848914) is 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine is CNc1cncc(N(C)CC2CCCN2C)n1.
What is the InChIKey of 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine?
The InChIKey is QLMSJPGUSYCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-13-11-7-14-8-12(15-11)17(3)9-10-5-4-6-16(10)2/h7-8,10H,4-6,9H2,1-3H3,(H,13,15).
What are the key properties of 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine?
2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80848914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).