[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol

C20H21N3O4 — CID 11710382

IUPAC[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
SMILESCOc1cc(Nc2cncc(-c3ccc(CO)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-11,24H,12H2,1-3H3,(H,22,23)
InChIKeyYULVNJAHDFXZIB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.41
Rot. Bonds7

About [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol

[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol (PubChem CID 11710382) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
PubChem CID11710382
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
SMILESCOc1cc(Nc2cncc(-c3ccc(CO)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-11,24H,12H2,1-3H3,(H,22,23)
InChIKeyYULVNJAHDFXZIB-UHFFFAOYSA-N
XLogP3.41
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
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
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
5-[[6-[4-[[hydroxy-[4-(trifluoromethyl)anilino]methyl]amino]phenyl]pyrazin-2-yl]amino]-2,3-dimethoxybenzaldehyde
CID 162603766
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
CID 59343485

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol (CID 11710382) is [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol is COc1cc(Nc2cncc(-c3ccc(CO)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol?
The InChIKey is YULVNJAHDFXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-11,24H,12H2,1-3H3,(H,22,23).
What are the key properties of [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol?
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol has a molecular weight of 367.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 11710382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).