1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine

C13H15BrN4O2 — CID 105178350

IUPAC1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1ncc(OC)nc1OC
InChIInChI=1S/C13H15BrN4O2/c1-15-11(9-5-4-8(14)6-16-9)12-13(20-3)18-10(19-2)7-17-12/h4-7,11,15H,1-3H3
InChIKeyGGSQWCRCDNSPLQ-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.96
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine

1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 105178350) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID105178350
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1ncc(OC)nc1OC
InChIInChI=1S/C13H15BrN4O2/c1-15-11(9-5-4-8(14)6-16-9)12-13(20-3)18-10(19-2)7-17-12/h4-7,11,15H,1-3H3
InChIKeyGGSQWCRCDNSPLQ-UHFFFAOYSA-N
XLogP1.96
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105031379
1-(2,4-dibromophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 107946646
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 105178345
1-(3-bromo-5-methylphenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105030961
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 115606086
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755786
1-(3,5-dimethoxypyrazin-2-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105031250
N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516092
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105178221
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105178281
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine (CID 105178350) is 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1ccc(Br)cn1)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is GGSQWCRCDNSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-15-11(9-5-4-8(14)6-16-9)12-13(20-3)18-10(19-2)7-17-12/h4-7,11,15H,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine?
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 339.19 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105178350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).