1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C12H13BrN4O — CID 104516094

IUPAC1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ncccc1Br)c1nccnc1OC
InChIInChI=1S/C12H13BrN4O/c1-14-10(9-8(13)4-3-5-15-9)11-12(18-2)17-7-6-16-11/h3-7,10,14H,1-2H3
InChIKeySRGMHNJRULLEDX-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.95
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 104516094) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID104516094
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1ncccc1Br)c1nccnc1OC
InChIInChI=1S/C12H13BrN4O/c1-14-10(9-8(13)4-3-5-15-9)11-12(18-2)17-7-6-16-11/h3-7,10,14H,1-2H3
InChIKeySRGMHNJRULLEDX-UHFFFAOYSA-N
XLogP1.95
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(2-bromo-5-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105178788
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515594
1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032038
1-(3-methoxypyrazin-2-yl)-N-methyl-1-quinolin-2-ylmethanamine
CID 104515575
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
[(3-bromo-2-chlorophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332681
1-(3-methoxypyrazin-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104515510
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
[(3-methoxypyrazin-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203713
3-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105178666
1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515629

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 104516094) is 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1ncccc1Br)c1nccnc1OC.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is SRGMHNJRULLEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-14-10(9-8(13)4-3-5-15-9)11-12(18-2)17-7-6-16-11/h3-7,10,14H,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 309.17 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104516094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).