5-(4-butylphenoxy)pyrazin-2-amine

C14H17N3O — CID 113322810

IUPAC5-(4-butylphenoxy)pyrazin-2-amine
SMILESCCCCc1ccc(Oc2cnc(N)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-2-3-4-11-5-7-12(8-6-11)18-14-10-16-13(15)9-17-14/h5-10H,2-4H2,1H3,(H2,15,16)
InChIKeyUMNRAIJXAZGVGL-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.19
Rot. Bonds5

About 5-(4-butylphenoxy)pyrazin-2-amine

5-(4-butylphenoxy)pyrazin-2-amine (PubChem CID 113322810) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(4-butylphenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-butylphenoxy)pyrazin-2-amine
PubChem CID113322810
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(4-butylphenoxy)pyrazin-2-amine
SMILESCCCCc1ccc(Oc2cnc(N)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-2-3-4-11-5-7-12(8-6-11)18-14-10-16-13(15)9-17-14/h5-10H,2-4H2,1H3,(H2,15,16)
InChIKeyUMNRAIJXAZGVGL-UHFFFAOYSA-N
XLogP3.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
2-(4-butylphenoxy)-5-iodopyrimidine
CID 116649242
1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
CID 115492831
methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate
CID 167111381
O-(4-butylphenyl)hydroxylamine
CID 176620577
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 115493746
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
N-hydroxy-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415304

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenoxy)pyrazin-2-amine?
The IUPAC name of 5-(4-butylphenoxy)pyrazin-2-amine (CID 113322810) is 5-(4-butylphenoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(4-butylphenoxy)pyrazin-2-amine?
The canonical SMILES for 5-(4-butylphenoxy)pyrazin-2-amine is CCCCc1ccc(Oc2cnc(N)cn2)cc1.
What is the InChIKey of 5-(4-butylphenoxy)pyrazin-2-amine?
The InChIKey is UMNRAIJXAZGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-4-11-5-7-12(8-6-11)18-14-10-16-13(15)9-17-14/h5-10H,2-4H2,1H3,(H2,15,16).
What are the key properties of 5-(4-butylphenoxy)pyrazin-2-amine?
5-(4-butylphenoxy)pyrazin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenoxy)pyrazin-2-amine is sourced from PubChem (CID 113322810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).