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

C14H17ClN4 — CID 107379915

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
SMILESCNCc1cnc(N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C14H17ClN4/c1-16-7-12-8-18-14(9-17-12)19(2)10-11-5-3-4-6-13(11)15/h3-6,8-9,16H,7,10H2,1-2H3
InChIKeySIJZZWCCHVLOAU-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.49
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine (PubChem CID 107379915) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
PubChem CID107379915
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
SMILESCNCc1cnc(N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C14H17ClN4/c1-16-7-12-8-18-14(9-17-12)19(2)10-11-5-3-4-6-13(11)15/h3-6,8-9,16H,7,10H2,1-2H3
InChIKeySIJZZWCCHVLOAU-UHFFFAOYSA-N
XLogP2.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62288918
N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379910
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80794819
N-[(2-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66450287
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 61417484

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine (CID 107379915) is N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine is CNCc1cnc(N(C)Cc2ccccc2Cl)cn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
The InChIKey is SIJZZWCCHVLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-16-7-12-8-18-14(9-17-12)19(2)10-11-5-3-4-6-13(11)15/h3-6,8-9,16H,7,10H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine?
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107379915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).