N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine

C13H15BrN4O — CID 107382196

IUPACN-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2cncc(Br)c2)cn1
InChIInChI=1S/C13H15BrN4O/c1-2-3-15-6-11-7-18-13(9-17-11)19-12-4-10(14)5-16-8-12/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyBGMRHZOIQCSKBL-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.93
Rot. Bonds6

About N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine

N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107382196) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107382196
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC NameN-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2cncc(Br)c2)cn1
InChIInChI=1S/C13H15BrN4O/c1-2-3-15-6-11-7-18-13(9-17-11)19-12-4-10(14)5-16-8-12/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyBGMRHZOIQCSKBL-UHFFFAOYSA-N
XLogP2.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382393
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
CID 114857412
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107558967
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
2-[(5-bromo-3-pyridinyl)oxy]-5-methoxypyridine
CID 106503856
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine (CID 107382196) is N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(Oc2cncc(Br)c2)cn1.
What is the InChIKey of N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is BGMRHZOIQCSKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-2-3-15-6-11-7-18-13(9-17-11)19-12-4-10(14)5-16-8-12/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 323.19 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107382196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).