5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine

C14H17BrN4 — CID 103056062

IUPAC5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C14H17BrN4/c1-16-14-8-17-12(7-18-14)10-19(2)9-11-5-3-4-6-13(11)15/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyHRAFVZFTTQPAPL-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.91
Rot. Bonds5

About 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine

5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine (PubChem CID 103056062) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
PubChem CID103056062
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C14H17BrN4/c1-16-14-8-17-12(7-18-14)10-19(2)9-11-5-3-4-6-13(11)15/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyHRAFVZFTTQPAPL-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
CID 103055908
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518849
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
CID 103060724
N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 55046136
[(2-bromophenyl)methyl-methylamino]methyl-trifluoroboranuide
CID 63701500
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine (CID 103056062) is 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine is CNc1cnc(CN(C)Cc2ccccc2Br)cn1.
What is the InChIKey of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
The InChIKey is HRAFVZFTTQPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-16-14-8-17-12(7-18-14)10-19(2)9-11-5-3-4-6-13(11)15/h3-8H,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine?
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103056062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).