3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine

C16H21N3O — CID 133469573

IUPAC3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
SMILESCc1ccc(OCCCNc2nc(C)cnc2C)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-7-15(8-6-12)20-10-4-9-17-16-14(3)18-11-13(2)19-16/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyAYGQYZIIZVPDAG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds6

About 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine

3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine (PubChem CID 133469573) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
PubChem CID133469573
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
SMILESCc1ccc(OCCCNc2nc(C)cnc2C)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-7-15(8-6-12)20-10-4-9-17-16-14(3)18-11-13(2)19-16/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyAYGQYZIIZVPDAG-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
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

3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
CID 62659686
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
3,4-difluoro-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096628
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine (CID 133469573) is 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine is Cc1ccc(OCCCNc2nc(C)cnc2C)cc1.
What is the InChIKey of 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine?
The InChIKey is AYGQYZIIZVPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-7-15(8-6-12)20-10-4-9-17-16-14(3)18-11-13(2)19-16/h5-8,11H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine?
3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine is sourced from PubChem (CID 133469573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).