6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine

C11H9BrFN3 — CID 90412213

IUPAC6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
SMILESFc1cccc(CNc2cncc(Br)n2)c1
InChIInChI=1S/C11H9BrFN3/c12-10-6-14-7-11(16-10)15-5-8-2-1-3-9(13)4-8/h1-4,6-7H,5H2,(H,15,16)
InChIKeyVMDYTJDQYXHHIP-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.99
Rot. Bonds3

About 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine

6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine (PubChem CID 90412213) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
PubChem CID90412213
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine
SMILESFc1cccc(CNc2cncc(Br)n2)c1
InChIInChI=1S/C11H9BrFN3/c12-10-6-14-7-11(16-10)15-5-8-2-1-3-9(13)4-8/h1-4,6-7H,5H2,(H,15,16)
InChIKeyVMDYTJDQYXHHIP-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol
CID 53250722
5-N-[(3-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532755
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
5-bromo-4-N-[(3-fluorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80772365
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine (CID 90412213) is 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine is Fc1cccc(CNc2cncc(Br)n2)c1.
What is the InChIKey of 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is VMDYTJDQYXHHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-10-6-14-7-11(16-10)15-5-8-2-1-3-9(13)4-8/h1-4,6-7H,5H2,(H,15,16).
What are the key properties of 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine?
6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 282.12 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-fluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 90412213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).