2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine

C27H30N6O2 — CID 20721778

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(C)c(C)c3)n2)cc1OC
InChIInChI=1S/C27H30N6O2/c1-16-7-9-20(13-18(16)3)28-25-31-26(29-21-10-8-17(2)19(4)14-21)33-27(32-25)30-22-11-12-23(34-5)24(15-22)35-6/h7-15H,1-6H3,(H3,28,29,30,31,32,33)
InChIKeyGKJGZJOPHHZAAE-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.35
Rot. Bonds8

About 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20721778) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20721778
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(C)c(C)c3)n2)cc1OC
InChIInChI=1S/C27H30N6O2/c1-16-7-9-20(13-18(16)3)28-25-31-26(29-21-10-8-17(2)19(4)14-21)33-27(32-25)30-22-11-12-23(34-5)24(15-22)35-6/h7-15H,1-6H3,(H3,28,29,30,31,32,33)
InChIKeyGKJGZJOPHHZAAE-UHFFFAOYSA-N
XLogP6.35
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N2-(naphthalen-2-yl)-N4-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536360
Perimidine, 2-(3,4-dimethoxyanilino)-1-methyl-
CID 3046495
2-N,4-N,6-N-tris(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 85989930
6-chloro-N,N'-bis(3,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1420754
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192051
N2-(3,4-dimethoxyphenyl)-N4-(4-ethylphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 18580160
N2-(3,4-dimethoxyphenyl)-N4-(3,5-dimethylphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 18580161
n2,n4,n6-Tris(3,4-dimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 18737109
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 134140871
4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536344
4-N-[3,4-bis(2-methoxyethoxy)phenyl]-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 23536382
4-N-(3-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536516

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 20721778) is 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(C)c(C)c3)n2)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GKJGZJOPHHZAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16-7-9-20(13-18(16)3)28-25-31-26(29-21-10-8-17(2)19(4)14-21)33-27(32-25)30-22-11-12-23(34-5)24(15-22)35-6/h7-15H,1-6H3,(H3,28,29,30,31,32,33).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 470.58 g/mol, XLogP of 6.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N,6-N-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).