2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline

C16H21N5 — CID 60876827

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline
SMILESCc1cnc(C)c(N2CCN(c3ccccc3N)CC2)n1
InChIInChI=1S/C16H21N5/c1-12-11-18-13(2)16(19-12)21-9-7-20(8-10-21)15-6-4-3-5-14(15)17/h3-6,11H,7-10,17H2,1-2H3
InChIKeyYMDYFDJPTFGEKP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.00
Rot. Bonds2

About 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline

2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline (PubChem CID 60876827) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline
PubChem CID60876827
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline
SMILESCc1cnc(C)c(N2CCN(c3ccccc3N)CC2)n1
InChIInChI=1S/C16H21N5/c1-12-11-18-13(2)16(19-12)21-9-7-20(8-10-21)15-6-4-3-5-14(15)17/h3-6,11H,7-10,17H2,1-2H3
InChIKeyYMDYFDJPTFGEKP-UHFFFAOYSA-N
XLogP2.00
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline (CID 60876827) is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline is Cc1cnc(C)c(N2CCN(c3ccccc3N)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline?
The InChIKey is YMDYFDJPTFGEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-11-18-13(2)16(19-12)21-9-7-20(8-10-21)15-6-4-3-5-14(15)17/h3-6,11H,7-10,17H2,1-2H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline?
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline has a molecular weight of 283.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline is sourced from PubChem (CID 60876827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).