6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane

C22H28N4O3 — CID 143250197

IUPAC6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
SMILESCCC.COc1cc(Nc2cncc(-c3cccc(N)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O3.C3H8/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12;1-3-2/h4-11H,20H2,1-3H3,(H,22,23);3H2,1-2H3
InChIKeyNNWVRTYDHAEOSK-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.91
Rot. Bonds6

About 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane

6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane (PubChem CID 143250197) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
PubChem CID143250197
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
SMILESCCC.COc1cc(Nc2cncc(-c3cccc(N)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O3.C3H8/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12;1-3-2/h4-11H,20H2,1-3H3,(H,22,23);3H2,1-2H3
InChIKeyNNWVRTYDHAEOSK-UHFFFAOYSA-N
XLogP4.91
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485
6-(3-ethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10110306
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049
2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 117092365
6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 59343474
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane?
The IUPAC name of 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane (CID 143250197) is 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane.
What is the SMILES notation for 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane?
The canonical SMILES for 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane is CCC.COc1cc(Nc2cncc(-c3cccc(N)c3)n2)cc(OC)c1OC.
What is the InChIKey of 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane?
The InChIKey is NNWVRTYDHAEOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.C3H8/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12;1-3-2/h4-11H,20H2,1-3H3,(H,22,23);3H2,1-2H3.
What are the key properties of 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane?
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane has a molecular weight of 396.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane is sourced from PubChem (CID 143250197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).