N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine

C14H18N4 — CID 114477642

IUPACN-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(Nc2ccccc2C(C)N)nc1C
InChIInChI=1S/C14H18N4/c1-9(15)12-6-4-5-7-13(12)18-14-8-16-10(2)11(3)17-14/h4-9H,15H2,1-3H3,(H,17,18)
InChIKeyAFENCCKCQIEBCL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.86
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine

N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114477642) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114477642
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(Nc2ccccc2C(C)N)nc1C
InChIInChI=1S/C14H18N4/c1-9(15)12-6-4-5-7-13(12)18-14-8-16-10(2)11(3)17-14/h4-9H,15H2,1-3H3,(H,17,18)
InChIKeyAFENCCKCQIEBCL-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine (CID 114477642) is N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(Nc2ccccc2C(C)N)nc1C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is AFENCCKCQIEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(15)12-6-4-5-7-13(12)18-14-8-16-10(2)11(3)17-14/h4-9H,15H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine?
N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114477642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).