6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

C13H14ClN3O3 — CID 11609049

IUPAC6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C13H14ClN3O3/c1-18-9-4-8(5-10(19-2)13(9)20-3)16-12-7-15-6-11(14)17-12/h4-7H,1-3H3,(H,16,17)
InChIKeyWLISXOGSZMQLHI-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.90
Rot. Bonds5

About 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 11609049) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID11609049
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C13H14ClN3O3/c1-18-9-4-8(5-10(19-2)13(9)20-3)16-12-7-15-6-11(14)17-12/h4-7H,1-3H3,(H,16,17)
InChIKeyWLISXOGSZMQLHI-UHFFFAOYSA-N
XLogP2.90
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
2-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 143250214
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 59343474
1-phenyl-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343415
6-chloro-2-N-(2,2-dimethylpropyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 20785920
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxyphenyl]urea
CID 59343418
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 11609049) is 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(Cl)n2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is WLISXOGSZMQLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-18-9-4-8(5-10(19-2)13(9)20-3)16-12-7-15-6-11(14)17-12/h4-7H,1-3H3,(H,16,17).
What are the key properties of 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 295.73 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 11609049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).