2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine

C14H26N6 — CID 80653824

IUPAC2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine
SMILESCC(C)C(CNc1cnc(N)cn1)N1CCN(C)CC1
InChIInChI=1S/C14H26N6/c1-11(2)12(20-6-4-19(3)5-7-20)8-17-14-10-16-13(15)9-18-14/h9-12H,4-8H2,1-3H3,(H2,15,16)(H,17,18)
InChIKeyRTBPWHRKIXCXKD-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.74
Rot. Bonds5

About 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine

2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine (PubChem CID 80653824) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine
PubChem CID80653824
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine
SMILESCC(C)C(CNc1cnc(N)cn1)N1CCN(C)CC1
InChIInChI=1S/C14H26N6/c1-11(2)12(20-6-4-19(3)5-7-20)8-17-14-10-16-13(15)9-18-14/h9-12H,4-8H2,1-3H3,(H2,15,16)(H,17,18)
InChIKeyRTBPWHRKIXCXKD-UHFFFAOYSA-N
XLogP0.74
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine (CID 80653824) is 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine is CC(C)C(CNc1cnc(N)cn1)N1CCN(C)CC1.
What is the InChIKey of 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine?
The InChIKey is RTBPWHRKIXCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-11(2)12(20-6-4-19(3)5-7-20)8-17-14-10-16-13(15)9-18-14/h9-12H,4-8H2,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine?
2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80653824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).