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

C15H19BrN4 — CID 107379580

IUPACN-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
SMILESCCNCc1cnc(N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C15H19BrN4/c1-3-17-8-13-9-19-15(10-18-13)20(2)11-12-6-4-5-7-14(12)16/h4-7,9-10,17H,3,8,11H2,1-2H3
InChIKeyOBPZTMASYVRGSG-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.98
Rot. Bonds6

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

N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine (PubChem CID 107379580) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
PubChem CID107379580
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
SMILESCCNCc1cnc(N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C15H19BrN4/c1-3-17-8-13-9-19-15(10-18-13)20(2)11-12-6-4-5-7-14(12)16/h4-7,9-10,17H,3,8,11H2,1-2H3
InChIKeyOBPZTMASYVRGSG-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379070
N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62292841
N-[(2-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66450287
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62292840
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379915
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61420530
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 107379754
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine (CID 107379580) is N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine is CCNCc1cnc(N(C)Cc2ccccc2Br)cn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine?
The InChIKey is OBPZTMASYVRGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-17-8-13-9-19-15(10-18-13)20(2)11-12-6-4-5-7-14(12)16/h4-7,9-10,17H,3,8,11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine?
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 107379580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).