N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine

C13H14ClN3O — CID 103292832

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
SMILESCOc1cccc(Cl)c1CNc1nccnc1C
InChIInChI=1S/C13H14ClN3O/c1-9-13(16-7-6-15-9)17-8-10-11(14)4-3-5-12(10)18-2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyXLLNKTGSSRQZFS-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine (PubChem CID 103292832) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
PubChem CID103292832
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
SMILESCOc1cccc(Cl)c1CNc1nccnc1C
InChIInChI=1S/C13H14ClN3O/c1-9-13(16-7-6-15-9)17-8-10-11(14)4-3-5-12(10)18-2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyXLLNKTGSSRQZFS-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
N-[(2-chloro-6-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103292810
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103292554
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine (CID 103292832) is N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine is COc1cccc(Cl)c1CNc1nccnc1C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
The InChIKey is XLLNKTGSSRQZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-13(16-7-6-15-9)17-8-10-11(14)4-3-5-12(10)18-2/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 103292832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).