N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine

C14H17BrN4 — CID 107379910

IUPACN-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
SMILESCNCc1cnc(N(C)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H17BrN4/c1-16-7-13-8-18-14(9-17-13)19(2)10-11-3-5-12(15)6-4-11/h3-6,8-9,16H,7,10H2,1-2H3
InChIKeyUUTLMZARGZGTKP-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.59
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine

N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine (PubChem CID 107379910) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
PubChem CID107379910
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
SMILESCNCc1cnc(N(C)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H17BrN4/c1-16-7-13-8-18-14(9-17-13)19(2)10-11-3-5-12(15)6-4-11/h3-6,8-9,16H,7,10H2,1-2H3
InChIKeyUUTLMZARGZGTKP-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379915
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 107379846
N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
N-benzyl-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378891
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80895829
N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62748086

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine (CID 107379910) is N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine is CNCc1cnc(N(C)Cc2ccc(Br)cc2)cn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
The InChIKey is UUTLMZARGZGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-16-7-13-8-18-14(9-17-13)19(2)10-11-3-5-12(15)6-4-11/h3-6,8-9,16H,7,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107379910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).