4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C23H20Cl2N6O3 — CID 23535916

IUPAC4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3cccnc3Nc3cc(Cl)cc(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H20Cl2N6O3/c1-32-18-10-16(11-19(33-2)20(18)34-3)30-23-28-12-27-22(31-23)17-5-4-6-26-21(17)29-15-8-13(24)7-14(25)9-15/h4-12H,1-3H3,(H,26,29)(H,27,28,30,31)
InChIKeyUVWIZXMXXWEDTN-UHFFFAOYSA-N
MW499.36 g/mol
LogP5.75
Rot. Bonds8

About 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23535916) has the molecular formula C23H20Cl2N6O3 and a molecular weight of 499.36 g/mol. Its IUPAC name is 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23535916
Molecular FormulaC23H20Cl2N6O3
Molecular Weight499.36 g/mol
Exact Mass498.10
IUPAC Name4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(-c3cccnc3Nc3cc(Cl)cc(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H20Cl2N6O3/c1-32-18-10-16(11-19(33-2)20(18)34-3)30-23-28-12-27-22(31-23)17-5-4-6-26-21(17)29-15-8-13(24)7-14(25)9-15/h4-12H,1-3H3,(H,26,29)(H,27,28,30,31)
InChIKeyUVWIZXMXXWEDTN-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

Analyze 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535911
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(4-morpholin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 156730481
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
4-(2-chloroimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22560087
N-[3-[[3-[4-(3-chloroanilino)-1,3,5-triazin-2-yl]-2-pyridinyl]amino]propyl]acetamide
CID 59200672
6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 117087940
N-phenyl-5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667490
4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536108
N-(3,4,5-trimethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 31054972

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23535916) is 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(-c3cccnc3Nc3cc(Cl)cc(Cl)c3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is UVWIZXMXXWEDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O3/c1-32-18-10-16(11-19(33-2)20(18)34-3)30-23-28-12-27-22(31-23)17-5-4-6-26-21(17)29-15-8-13(24)7-14(25)9-15/h4-12H,1-3H3,(H,26,29)(H,27,28,30,31).
What are the key properties of 4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-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-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23535916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).