6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine

C14H16ClN3O — CID 66466186

IUPAC6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
SMILESCOc1ccc(CN(C)c2cncc(CCl)n2)cc1
InChIInChI=1S/C14H16ClN3O/c1-18(14-9-16-8-12(7-15)17-14)10-11-3-5-13(19-2)6-4-11/h3-6,8-9H,7,10H2,1-2H3
InChIKeyLXDSVJMWYKFREO-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.86
Rot. Bonds5

About 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine

6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine (PubChem CID 66466186) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
PubChem CID66466186
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
SMILESCOc1ccc(CN(C)c2cncc(CCl)n2)cc1
InChIInChI=1S/C14H16ClN3O/c1-18(14-9-16-8-12(7-15)17-14)10-11-3-5-13(19-2)6-4-11/h3-6,8-9H,7,10H2,1-2H3
InChIKeyLXDSVJMWYKFREO-UHFFFAOYSA-N
XLogP2.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007
6-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66449264
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66451652
[6-[benzyl(methyl)amino]pyrazin-2-yl]methanol
CID 66466595
[6-[methyl(pyridin-4-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467748
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
2-[6-[(4-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91087829

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine (CID 66466186) is 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine is COc1ccc(CN(C)c2cncc(CCl)n2)cc1.
What is the InChIKey of 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is LXDSVJMWYKFREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18(14-9-16-8-12(7-15)17-14)10-11-3-5-13(19-2)6-4-11/h3-6,8-9H,7,10H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 66466186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).