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

C27H30N6O2 — CID 20721782

IUPAC6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(OC)c(C)c3)n2)cc1C
InChIInChI=1S/C27H30N6O2/c1-16-7-8-20(13-17(16)2)28-25-31-26(29-21-9-11-23(34-5)18(3)14-21)33-27(32-25)30-22-10-12-24(35-6)19(4)15-22/h7-15H,1-6H3,(H3,28,29,30,31,32,33)
InChIKeyASSABROMUKJHEA-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.35
Rot. Bonds8

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

6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20721782) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20721782
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(OC)c(C)c3)n2)cc1C
InChIInChI=1S/C27H30N6O2/c1-16-7-8-20(13-17(16)2)28-25-31-26(29-21-9-11-23(34-5)18(3)14-21)33-27(32-25)30-22-10-12-24(35-6)19(4)15-22/h7-15H,1-6H3,(H3,28,29,30,31,32,33)
InChIKeyASSABROMUKJHEA-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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 20721782) is 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(OC)c(C)c3)n2)cc1C.
What is the InChIKey of 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ASSABROMUKJHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16-7-8-20(13-17(16)2)28-25-31-26(29-21-9-11-23(34-5)18(3)14-21)33-27(32-25)30-22-10-12-24(35-6)19(4)15-22/h7-15H,1-6H3,(H3,28,29,30,31,32,33).
What are the key properties of 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-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 6-N-(3,4-dimethylphenyl)-2-N,4-N-bis(4-methoxy-3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20721782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).