N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine

C16H21BrN4 — CID 66449274

IUPACN-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-3-7-18-9-15-10-19-11-16(20-15)21(2)12-13-5-4-6-14(17)8-13/h4-6,8,10-11,18H,3,7,9,12H2,1-2H3
InChIKeyISVIQSXTGVLMNC-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.38
Rot. Bonds7

About N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine

N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine (PubChem CID 66449274) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
PubChem CID66449274
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cncc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-3-7-18-9-15-10-19-11-16(20-15)21(2)12-13-5-4-6-14(17)8-13/h4-6,8,10-11,18H,3,7,9,12H2,1-2H3
InChIKeyISVIQSXTGVLMNC-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
N-methyl-6-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 66457427
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80778161
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyrazin-2-amine
CID 66451087
N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62292841
N-(3-methoxypropyl)-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66450496
6-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66449264
N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62293133
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66456620

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine (CID 66449274) is N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine is CCCNCc1cncc(N(C)Cc2cccc(Br)c2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is ISVIQSXTGVLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-3-7-18-9-15-10-19-11-16(20-15)21(2)12-13-5-4-6-14(17)8-13/h4-6,8,10-11,18H,3,7,9,12H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine?
N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 349.28 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 66449274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).