5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine

C12H12ClN3O — CID 103059224

IUPAC5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
SMILESCc1ccc(Cl)cc1OCc1cnc(N)cn1
InChIInChI=1S/C12H12ClN3O/c1-8-2-3-9(13)4-11(8)17-7-10-5-16-12(14)6-15-10/h2-6H,7H2,1H3,(H2,14,16)
InChIKeySDQJMZJFGGIHLU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.60
Rot. Bonds3

About 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine

5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine (PubChem CID 103059224) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
PubChem CID103059224
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
SMILESCc1ccc(Cl)cc1OCc1cnc(N)cn1
InChIInChI=1S/C12H12ClN3O/c1-8-2-3-9(13)4-11(8)17-7-10-5-16-12(14)6-15-10/h2-6H,7H2,1H3,(H2,14,16)
InChIKeySDQJMZJFGGIHLU-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774221
[2-[(5-chloro-2-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260404
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
5-[(5-chloro-3-pyridinyl)oxymethyl]pyrazin-2-amine
CID 103059159
3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
CID 114847555
5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
CID 103058694
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
N-[3-[(5-aminopyrazin-2-yl)methoxy]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 53339174

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine (CID 103059224) is 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine is Cc1ccc(Cl)cc1OCc1cnc(N)cn1.
What is the InChIKey of 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine?
The InChIKey is SDQJMZJFGGIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-2-3-9(13)4-11(8)17-7-10-5-16-12(14)6-15-10/h2-6H,7H2,1H3,(H2,14,16).
What are the key properties of 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine?
5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine is sourced from PubChem (CID 103059224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).