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

C13H14ClN3O — CID 54940770

IUPAC6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
SMILESCOc1ccccc1CN(C)c1cncc(Cl)n1
InChIInChI=1S/C13H14ClN3O/c1-17(13-8-15-7-12(14)16-13)9-10-5-3-4-6-11(10)18-2/h3-8H,9H2,1-2H3
InChIKeyBKPFJLYSEBHEFR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.78
Rot. Bonds4

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

6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine (PubChem CID 54940770) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
PubChem CID54940770
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
SMILESCOc1ccccc1CN(C)c1cncc(Cl)n1
InChIInChI=1S/C13H14ClN3O/c1-17(13-8-15-7-12(14)16-13)9-10-5-3-4-6-11(10)18-2/h3-8H,9H2,1-2H3
InChIKeyBKPFJLYSEBHEFR-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
CID 66466375
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
2-chloro-6-(2-methoxyphenoxy)pyrazine
CID 61057285
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418221
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 171324333
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
5-(ethylaminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 62294445

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine (CID 54940770) is 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine is COc1ccccc1CN(C)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is BKPFJLYSEBHEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17(13-8-15-7-12(14)16-13)9-10-5-3-4-6-11(10)18-2/h3-8H,9H2,1-2H3.
What are the key properties of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine?
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 54940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).