N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine

C14H18N4 — CID 114476457

IUPACN-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCc2ccc(N)cc2)nc1C
InChIInChI=1S/C14H18N4/c1-10-11(2)18-14(9-17-10)16-8-7-12-3-5-13(15)6-4-12/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyMFQKZGGBORWSNB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine

N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114476457) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114476457
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCc2ccc(N)cc2)nc1C
InChIInChI=1S/C14H18N4/c1-10-11(2)18-14(9-17-10)16-8-7-12-3-5-13(15)6-4-12/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyMFQKZGGBORWSNB-UHFFFAOYSA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475197
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
5,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrazin-2-amine
CID 106404238
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine
CID 106127510
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
CID 107489063
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine (CID 114476457) is N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCCc2ccc(N)cc2)nc1C.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is MFQKZGGBORWSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-11(2)18-14(9-17-10)16-8-7-12-3-5-13(15)6-4-12/h3-6,9H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114476457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).