3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine

C13H23N5 — CID 79659414

IUPAC3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine
SMILESCN1CCN(C)C(C(N)Cc2cccnc2N)C1
InChIInChI=1S/C13H23N5/c1-17-6-7-18(2)12(9-17)11(14)8-10-4-3-5-16-13(10)15/h3-5,11-12H,6-9,14H2,1-2H3,(H2,15,16)
InChIKeyJWQSCSIUONVWHJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP-0.22
Rot. Bonds3

About 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine

3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine (PubChem CID 79659414) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine
PubChem CID79659414
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine
SMILESCN1CCN(C)C(C(N)Cc2cccnc2N)C1
InChIInChI=1S/C13H23N5/c1-17-6-7-18(2)12(9-17)11(14)8-10-4-3-5-16-13(10)15/h3-5,11-12H,6-9,14H2,1-2H3,(H2,15,16)
InChIKeyJWQSCSIUONVWHJ-UHFFFAOYSA-N
XLogP-0.22
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine (CID 79659414) is 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine is CN1CCN(C)C(C(N)Cc2cccnc2N)C1.
What is the InChIKey of 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine?
The InChIKey is JWQSCSIUONVWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17-6-7-18(2)12(9-17)11(14)8-10-4-3-5-16-13(10)15/h3-5,11-12H,6-9,14H2,1-2H3,(H2,15,16).
What are the key properties of 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine?
3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79659414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).