N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline

C39H37N9O — CID 130352842

IUPACN-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline
SMILESCOc1ccc(N(c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)cc1
InChIInChI=1S/C39H37N9O/c1-20-24(5)34(25(6)21(2)32(20)30-18-44-36-38(46-30)42-16-14-40-36)48(28-10-12-29(49-9)13-11-28)35-26(7)22(3)33(23(4)27(35)8)31-19-45-37-39(47-31)43-17-15-41-37/h10-19H,1-9H3
InChIKeyAZKJDVHWJAAISS-UHFFFAOYSA-N
MW647.79 g/mol
LogP8.43
Rot. Bonds6

About N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline

N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline (PubChem CID 130352842) has the molecular formula C39H37N9O and a molecular weight of 647.79 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline
PubChem CID130352842
Molecular FormulaC39H37N9O
Molecular Weight647.79 g/mol
Exact Mass647.31
IUPAC NameN-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline
SMILESCOc1ccc(N(c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)cc1
InChIInChI=1S/C39H37N9O/c1-20-24(5)34(25(6)21(2)32(20)30-18-44-36-38(46-30)42-16-14-40-36)48(28-10-12-29(49-9)13-11-28)35-26(7)22(3)33(23(4)27(35)8)31-19-45-37-39(47-31)43-17-15-41-37/h10-19H,1-9H3
InChIKeyAZKJDVHWJAAISS-UHFFFAOYSA-N
XLogP8.43
TPSA115.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.79
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline?
The IUPAC name of N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline (CID 130352842) is N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline?
The canonical SMILES for N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline is COc1ccc(N(c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline?
The InChIKey is AZKJDVHWJAAISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N9O/c1-20-24(5)34(25(6)21(2)32(20)30-18-44-36-38(46-30)42-16-14-40-36)48(28-10-12-29(49-9)13-11-28)35-26(7)22(3)33(23(4)27(35)8)31-19-45-37-39(47-31)43-17-15-41-37/h10-19H,1-9H3.
What are the key properties of N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline?
N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline has a molecular weight of 647.79 g/mol, XLogP of 8.43, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-yl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)aniline is sourced from PubChem (CID 130352842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).