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

C11H19N5 — CID 80647121

IUPAC2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
SMILESCN1CCC(CN(C)c2cncc(N)n2)C1
InChIInChI=1S/C11H19N5/c1-15-4-3-9(7-15)8-16(2)11-6-13-5-10(12)14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,14)
InChIKeyUYXZOFJFNRPODL-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.45
Rot. Bonds3

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

2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine (PubChem CID 80647121) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
PubChem CID80647121
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
SMILESCN1CCC(CN(C)c2cncc(N)n2)C1
InChIInChI=1S/C11H19N5/c1-15-4-3-9(7-15)8-16(2)11-6-13-5-10(12)14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,14)
InChIKeyUYXZOFJFNRPODL-UHFFFAOYSA-N
XLogP0.45
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80827748
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
CID 63275542
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
6-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80914024
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
N-(cyclopropylmethyl)-N,6-dimethylpyrazin-2-amine
CID 131114250
N-methyl-5-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 107380202
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-5,8-diamine
CID 102713371

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine (CID 80647121) is 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine is CN1CCC(CN(C)c2cncc(N)n2)C1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
The InChIKey is UYXZOFJFNRPODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-4-3-9(7-15)8-16(2)11-6-13-5-10(12)14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,14).
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine?
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80647121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).