N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

C15H27N5 — CID 66449130

IUPACN-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2cncc(CNC(C)(C)C)n2)CCN1C
InChIInChI=1S/C15H27N5/c1-12-11-20(7-6-19(12)5)14-10-16-8-13(18-14)9-17-15(2,3)4/h8,10,12,17H,6-7,9,11H2,1-5H3
InChIKeyWRIKYVDVLCHEMK-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.50
Rot. Bonds3

About N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66449130) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66449130
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2cncc(CNC(C)(C)C)n2)CCN1C
InChIInChI=1S/C15H27N5/c1-12-11-20(7-6-19(12)5)14-10-16-8-13(18-14)9-17-15(2,3)4/h8,10,12,17H,6-7,9,11H2,1-5H3
InChIKeyWRIKYVDVLCHEMK-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 66449130) is N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is CC1CN(c2cncc(CNC(C)(C)C)n2)CCN1C.
What is the InChIKey of N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WRIKYVDVLCHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-11-20(7-6-19(12)5)14-10-16-8-13(18-14)9-17-15(2,3)4/h8,10,12,17H,6-7,9,11H2,1-5H3.
What are the key properties of N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66449130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).