1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C14H15Br2N3O — CID 62847538

IUPAC1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCOc1c(Br)cc(CNCc2cnc(C)cn2)cc1Br
InChIInChI=1S/C14H15Br2N3O/c1-9-5-19-11(8-18-9)7-17-6-10-3-12(15)14(20-2)13(16)4-10/h3-5,8,17H,6-7H2,1-2H3
InChIKeyIYWZZPVOPXYRQL-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 62847538) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID62847538
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCOc1c(Br)cc(CNCc2cnc(C)cn2)cc1Br
InChIInChI=1S/C14H15Br2N3O/c1-9-5-19-11(8-18-9)7-17-6-10-3-12(15)14(20-2)13(16)4-10/h3-5,8,17H,6-7H2,1-2H3
InChIKeyIYWZZPVOPXYRQL-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847891
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
CID 115603288
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848282
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
2-[(5-methylpyrazin-2-yl)methylamino]acetonitrile
CID 62846098
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60776937
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propan-1-ol
CID 43770585

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 62847538) is 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is COc1c(Br)cc(CNCc2cnc(C)cn2)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is IYWZZPVOPXYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-9-5-19-11(8-18-9)7-17-6-10-3-12(15)14(20-2)13(16)4-10/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 401.10 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 62847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).