4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine

C23H20Cl2N6O3 — CID 156730489

IUPAC4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2ncnc(-c3cccnc3Nc3c(Cl)c(OC)cc(OC)c3Cl)n2)c1
InChIInChI=1S/C23H20Cl2N6O3/c1-32-14-7-4-6-13(10-14)29-23-28-12-27-22(31-23)15-8-5-9-26-21(15)30-20-18(24)16(33-2)11-17(34-3)19(20)25/h4-12H,1-3H3,(H,26,30)(H,27,28,29,31)
InChIKeyAERNXUFRWJPKGR-UHFFFAOYSA-N
MW499.36 g/mol
LogP5.75
Rot. Bonds8

About 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine

4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 156730489) has the molecular formula C23H20Cl2N6O3 and a molecular weight of 499.36 g/mol. Its IUPAC name is 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID156730489
Molecular FormulaC23H20Cl2N6O3
Molecular Weight499.36 g/mol
Exact Mass498.10
IUPAC Name4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2ncnc(-c3cccnc3Nc3c(Cl)c(OC)cc(OC)c3Cl)n2)c1
InChIInChI=1S/C23H20Cl2N6O3/c1-32-14-7-4-6-13(10-14)29-23-28-12-27-22(31-23)15-8-5-9-26-21(15)30-20-18(24)16(33-2)11-17(34-3)19(20)25/h4-12H,1-3H3,(H,26,30)(H,27,28,29,31)
InChIKeyAERNXUFRWJPKGR-UHFFFAOYSA-N
XLogP5.75
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.36
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine (CID 156730489) is 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine is COc1cccc(Nc2ncnc(-c3cccnc3Nc3c(Cl)c(OC)cc(OC)c3Cl)n2)c1.
What is the InChIKey of 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is AERNXUFRWJPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O3/c1-32-14-7-4-6-13(10-14)29-23-28-12-27-22(31-23)15-8-5-9-26-21(15)30-20-18(24)16(33-2)11-17(34-3)19(20)25/h4-12H,1-3H3,(H,26,30)(H,27,28,29,31).
What are the key properties of 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine?
4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 499.36 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(3-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 156730489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).