N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline

C21H23N3O3 — CID 10959469

IUPACN,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline
SMILESCOc1cc(-c2nccnc2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O3/c1-24(2)16-8-6-14(7-9-16)19-20(23-11-10-22-19)15-12-17(25-3)21(27-5)18(13-15)26-4/h6-13H,1-5H3
InChIKeyFKSMRRWFDHHZFR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.90
Rot. Bonds6

About N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline

N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline (PubChem CID 10959469) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline
PubChem CID10959469
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline
SMILESCOc1cc(-c2nccnc2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O3/c1-24(2)16-8-6-14(7-9-16)19-20(23-11-10-22-19)15-12-17(25-3)21(27-5)18(13-15)26-4/h6-13H,1-5H3
InChIKeyFKSMRRWFDHHZFR-UHFFFAOYSA-N
XLogP3.90
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline (CID 10959469) is N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline is COc1cc(-c2nccnc2-c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline?
The InChIKey is FKSMRRWFDHHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24(2)16-8-6-14(7-9-16)19-20(23-11-10-22-19)15-12-17(25-3)21(27-5)18(13-15)26-4/h6-13H,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline?
N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline has a molecular weight of 365.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]aniline is sourced from PubChem (CID 10959469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).