2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine

C26H26ClN5O2 — CID 123418658

IUPAC2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(CCCc2nc(Nc3cccc(OC)c3)nc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C26H26ClN5O2/c1-33-20-11-5-8-18(16-20)9-6-15-24-30-25(28-19-10-7-12-21(17-19)34-2)32-26(31-24)29-23-14-4-3-13-22(23)27/h3-5,7-8,10-14,16-17H,6,9,15H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyXBZZLRGQJYFGKR-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.20
Rot. Bonds10

About 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine

2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 123418658) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine
PubChem CID123418658
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(CCCc2nc(Nc3cccc(OC)c3)nc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C26H26ClN5O2/c1-33-20-11-5-8-18(16-20)9-6-15-24-30-25(28-19-10-7-12-21(17-19)34-2)32-26(31-24)29-23-14-4-3-13-22(23)27/h3-5,7-8,10-14,16-17H,6,9,15H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyXBZZLRGQJYFGKR-UHFFFAOYSA-N
XLogP6.20
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-(4-amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(3-chloro-4-methylphenyl)amine
CID 1214348
4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 45277359
2-N-(4-chlorophenyl)-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 69017347
N-(4-chlorophenyl)-4-(3-methoxyphenyl)-6-[[4-(trifluoromethoxy)phenyl]methyldiazenyl]-1,3,5-triazin-2-amine
CID 123337562
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 124274356
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 124279038
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20898997
6-chloro-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 9815208
2-N-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 10269739
2-[4-(2-chlorophenyl)piperazin-1-yl]-4-N,4-N-dimethyl-6-N-(3-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 10346417
2-N-(2-chlorophenyl)-4-N,6-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 57932074
2-N-(3-chlorophenyl)-4-N,6-N-bis(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 57932108

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine (CID 123418658) is 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine is COc1cccc(CCCc2nc(Nc3cccc(OC)c3)nc(Nc3ccccc3Cl)n2)c1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XBZZLRGQJYFGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-33-20-11-5-8-18(16-20)9-6-15-24-30-25(28-19-10-7-12-21(17-19)34-2)32-26(31-24)29-23-14-4-3-13-22(23)27/h3-5,7-8,10-14,16-17H,6,9,15H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 475.98 g/mol, XLogP of 6.20, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(3-methoxyphenyl)-6-[3-(3-methoxyphenyl)propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 123418658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).