3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine

C14H16BrN3O — CID 112559397

IUPAC3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-3-6-17-14-13(16-7-8-18-14)10-4-5-12(19-2)11(15)9-10/h4-5,7-9H,3,6H2,1-2H3,(H,17,18)
InChIKeyOXYALGSYCKKQQU-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.74
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine

3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine (PubChem CID 112559397) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
PubChem CID112559397
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-3-6-17-14-13(16-7-8-18-14)10-4-5-12(19-2)11(15)9-10/h4-5,7-9H,3,6H2,1-2H3,(H,17,18)
InChIKeyOXYALGSYCKKQQU-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-propylpyrazin-2-amine
CID 112559373
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66295682
3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine
CID 81230913
N-[[2-(3-bromo-4-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 106951277
5-bromo-3-ethyl-8-methoxy-N-propylquinolin-2-amine
CID 63525615
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80830476
2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80829938
N-[[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137567
3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
CID 102753582
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
3-[[5-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]amino]propanenitrile
CID 116975700

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine (CID 112559397) is 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine?
The InChIKey is OXYALGSYCKKQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-6-17-14-13(16-7-8-18-14)10-4-5-12(19-2)11(15)9-10/h4-5,7-9H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine?
3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 112559397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).