3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine

C12H12ClN3O2 — CID 146463717

IUPAC3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cccc(OC)c1Nc1nccnc1Cl
InChIInChI=1S/C12H12ClN3O2/c1-17-8-4-3-5-9(18-2)10(8)16-12-11(13)14-6-7-15-12/h3-7H,1-2H3,(H,15,16)
InChIKeyJCGBUOAGQAWRHZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.89
Rot. Bonds4

About 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine

3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine (PubChem CID 146463717) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine
PubChem CID146463717
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cccc(OC)c1Nc1nccnc1Cl
InChIInChI=1S/C12H12ClN3O2/c1-17-8-4-3-5-9(18-2)10(8)16-12-11(13)14-6-7-15-12/h3-7H,1-2H3,(H,15,16)
InChIKeyJCGBUOAGQAWRHZ-UHFFFAOYSA-N
XLogP2.89
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
CID 82860927
3-(2,6-dimethoxyphenyl)-N-methylpyrazin-2-amine
CID 116811262
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone
CID 89266579
2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107466443
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107469806
3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
CID 82810797
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
1-[2-(chloroamino)-3-methoxyphenyl]ethanone
CID 174727261
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine (CID 146463717) is 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine is COc1cccc(OC)c1Nc1nccnc1Cl.
What is the InChIKey of 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine?
The InChIKey is JCGBUOAGQAWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-8-4-3-5-9(18-2)10(8)16-12-11(13)14-6-7-15-12/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine?
3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 146463717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).