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

C21H26N6 — CID 86574097

IUPAC2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(C)c(Nc2nc(N)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C21H26N6/c1-11-7-13(3)17(14(4)8-11)23-20-25-19(22)26-21(27-20)24-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3,(H4,22,23,24,25,26,27)
InChIKeyCWSCJPINWGDASK-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.79
Rot. Bonds4

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

2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 86574097) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID86574097
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1cc(C)c(Nc2nc(N)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C21H26N6/c1-11-7-13(3)17(14(4)8-11)23-20-25-19(22)26-21(27-20)24-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3,(H4,22,23,24,25,26,27)
InChIKeyCWSCJPINWGDASK-UHFFFAOYSA-N
XLogP4.79
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 86574097) is 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is Cc1cc(C)c(Nc2nc(N)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CWSCJPINWGDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-11-7-13(3)17(14(4)8-11)23-20-25-19(22)26-21(27-20)24-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3,(H4,22,23,24,25,26,27).
What are the key properties of 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 362.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 86574097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).