3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine

C17H14BrN3O — CID 155906636

IUPAC3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(OCc3ccccc3)cc2)nc1Br
InChIInChI=1S/C17H14BrN3O/c18-16-17(19)20-10-15(21-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)
InChIKeyHXDNGZJODBVXCJ-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.07
Rot. Bonds4

About 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine

3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine (PubChem CID 155906636) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
PubChem CID155906636
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(OCc3ccccc3)cc2)nc1Br
InChIInChI=1S/C17H14BrN3O/c18-16-17(19)20-10-15(21-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)
InChIKeyHXDNGZJODBVXCJ-UHFFFAOYSA-N
XLogP4.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
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5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
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3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine (CID 155906636) is 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine is Nc1ncc(-c2ccc(OCc3ccccc3)cc2)nc1Br.
What is the InChIKey of 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine?
The InChIKey is HXDNGZJODBVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-16-17(19)20-10-15(21-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20).
What are the key properties of 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine?
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine has a molecular weight of 356.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 155906636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).