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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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).