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

C18H20N6 — CID 4017952

IUPAC6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C18H20N6/c1-12-4-8-14(9-5-12)20-17-22-16(19-3)23-18(24-17)21-15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H3,19,20,21,22,23,24)
InChIKeyQHOKRYUWHHKKFG-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.02
Rot. Bonds5

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

6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 4017952) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID4017952
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C18H20N6/c1-12-4-8-14(9-5-12)20-17-22-16(19-3)23-18(24-17)21-15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H3,19,20,21,22,23,24)
InChIKeyQHOKRYUWHHKKFG-UHFFFAOYSA-N
XLogP4.02
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 4017952) is 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QHOKRYUWHHKKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-12-4-8-14(9-5-12)20-17-22-16(19-3)23-18(24-17)21-15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H3,19,20,21,22,23,24).
What are the key properties of 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 4017952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).