[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine

C15H19N3O — CID 107663628

IUPAC[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
SMILESCCC(C)c1ccc(Oc2nccnc2CN)cc1
InChIInChI=1S/C15H19N3O/c1-3-11(2)12-4-6-13(7-5-12)19-15-14(10-16)17-8-9-18-15/h4-9,11H,3,10,16H2,1-2H3
InChIKeyDKWGYZCQPRNCDZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.24
Rot. Bonds5

About [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine

[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine (PubChem CID 107663628) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
PubChem CID107663628
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
SMILESCCC(C)c1ccc(Oc2nccnc2CN)cc1
InChIInChI=1S/C15H19N3O/c1-3-11(2)12-4-6-13(7-5-12)19-15-14(10-16)17-8-9-18-15/h4-9,11H,3,10,16H2,1-2H3
InChIKeyDKWGYZCQPRNCDZ-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol
CID 62683655
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596
N-[[2-(4-butan-2-ylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 107668187
[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine
CID 62684336
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326

Frequently Asked Questions

What is the IUPAC name of [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine (CID 107663628) is [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine is CCC(C)c1ccc(Oc2nccnc2CN)cc1.
What is the InChIKey of [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is DKWGYZCQPRNCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11(2)12-4-6-13(7-5-12)19-15-14(10-16)17-8-9-18-15/h4-9,11H,3,10,16H2,1-2H3.
What are the key properties of [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine?
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).