5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine

C17H14BrN3 — CID 86614306

IUPAC5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine
SMILESBrc1cnc(NCc2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C17H14BrN3/c18-16-11-21-17(12-19-16)20-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,20,21)
InChIKeyIOIZGHRWMLXSPW-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine

5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine (PubChem CID 86614306) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine
PubChem CID86614306
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC Name5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine
SMILESBrc1cnc(NCc2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C17H14BrN3/c18-16-11-21-17(12-19-16)20-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,20,21)
InChIKeyIOIZGHRWMLXSPW-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-phenylpyridin-2-amine
CID 24949412
1-benzyl-3-(5-bromopyrazin-2-yl)urea
CID 107653654
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
5-bromo-N-(2H-tetrazol-5-ylmethyl)pyrazin-2-amine
CID 130540599
N-[[4-(tert-butylsulfanylamino)phenyl]methyl]-5-phenylpyrazin-2-amine
CID 59230436
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 53037152
N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
CID 10334318
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526
N-(bromomethyl)-1-(4-phenylphenyl)methanamine
CID 115261872
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine?
The IUPAC name of 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine (CID 86614306) is 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine is Brc1cnc(NCc2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine?
The InChIKey is IOIZGHRWMLXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/c18-16-11-21-17(12-19-16)20-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H,20,21).
What are the key properties of 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine?
5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine has a molecular weight of 340.22 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 86614306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).