3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine

C16H29N5 — CID 65416239

IUPAC3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC(C(C)C)N2CCN(C)CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)15(21-8-6-20(5)7-9-21)11-18-16-14(4)17-10-13(3)19-16/h10,12,15H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyGBPRNYKWLADHJQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.78
Rot. Bonds5

About 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine

3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine (PubChem CID 65416239) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
PubChem CID65416239
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC(C(C)C)N2CCN(C)CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)15(21-8-6-20(5)7-9-21)11-18-16-14(4)17-10-13(3)19-16/h10,12,15H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyGBPRNYKWLADHJQ-UHFFFAOYSA-N
XLogP1.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
N,6-dimethylpyrazin-2-amine
CID 55286460
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
3-(Butylamino)pyrazine-2,5-dicarbonitrile
CID 57398216
2-Methyl-3-(piperazin-1-yl)pyrazine hydrochloride
CID 71639307
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
2,5-Dimethyl-3-piperazin-1-ylpyrazine;hydrochloride
CID 90674677
N-methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
CID 95817209
2-Piperidin-4-yl-5-pyrrolidin-1-ylpyrazine
CID 95846192

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine (CID 65416239) is 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine is Cc1cnc(C)c(NCC(C(C)C)N2CCN(C)CC2)n1.
What is the InChIKey of 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine?
The InChIKey is GBPRNYKWLADHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)15(21-8-6-20(5)7-9-21)11-18-16-14(4)17-10-13(3)19-16/h10,12,15H,6-9,11H2,1-5H3,(H,18,19).
What are the key properties of 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine?
3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine is sourced from PubChem (CID 65416239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).