6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine

C16H21N3O — CID 134706585

IUPAC6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine
SMILESCCCc1ccc(OCCNc2cncc(C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-14-5-7-15(8-6-14)20-10-9-18-16-12-17-11-13(2)19-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyJFTJQWNDFMBPKV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.23
Rot. Bonds7

About 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine

6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine (PubChem CID 134706585) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine
PubChem CID134706585
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine
SMILESCCCc1ccc(OCCNc2cncc(C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-14-5-7-15(8-6-14)20-10-9-18-16-12-17-11-13(2)19-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyJFTJQWNDFMBPKV-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
6-methyl-N-[2-(2-phenylphenoxy)ethyl]pyrazin-2-amine
CID 133468807
N-[4-[2-[(6-methylpyrazin-2-yl)amino]ethyl]phenyl]acetamide
CID 133470212
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
2-[4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]ethanol
CID 107710246
N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284460
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine?
The IUPAC name of 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine (CID 134706585) is 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine is CCCc1ccc(OCCNc2cncc(C)n2)cc1.
What is the InChIKey of 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine?
The InChIKey is JFTJQWNDFMBPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-14-5-7-15(8-6-14)20-10-9-18-16-12-17-11-13(2)19-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine?
6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine is sourced from PubChem (CID 134706585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).