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

C18H18N4O3 — CID 24879140

IUPAC6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(-c3ccncc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O3/c1-23-15-8-13(9-16(24-2)18(15)25-3)21-17-11-20-10-14(22-17)12-4-6-19-7-5-12/h4-11H,1-3H3,(H,21,22)
InChIKeyKEXLNILEKWXMDI-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.31
Rot. Bonds6

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

6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 24879140) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID24879140
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(-c3ccncc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O3/c1-23-15-8-13(9-16(24-2)18(15)25-3)21-17-11-20-10-14(22-17)12-4-6-19-7-5-12/h4-11H,1-3H3,(H,21,22)
InChIKeyKEXLNILEKWXMDI-UHFFFAOYSA-N
XLogP3.31
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
CID 447815
7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
4-[(5,6-Dimethyl-2,2'-Bipyridin-3-Yl)oxy]-N-(3,4,5-Trimethoxyphenyl)pyridin-2-Amine
CID 44201376
4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
2,4-Disubstituted Pyrimidine 2h
CID 5329421
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 24879140) is 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(-c3ccncc3)n2)cc(OC)c1OC.
What is the InChIKey of 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is KEXLNILEKWXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-23-15-8-13(9-16(24-2)18(15)25-3)21-17-11-20-10-14(22-17)12-4-6-19-7-5-12/h4-11H,1-3H3,(H,21,22).
What are the key properties of 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 24879140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).