2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine

C18H20N6 — CID 155539485

IUPAC2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H20N6/c1-20-12-14-9-5-6-10-15(14)16-22-17(19)24-18(23-16)21-11-13-7-3-2-4-8-13/h2-10,20H,11-12H2,1H3,(H3,19,21,22,23,24)
InChIKeyUWARUFWLIWEEOT-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.45
Rot. Bonds6

About 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 155539485) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID155539485
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H20N6/c1-20-12-14-9-5-6-10-15(14)16-22-17(19)24-18(23-16)21-11-13-7-3-2-4-8-13/h2-10,20H,11-12H2,1H3,(H3,19,21,22,23,24)
InChIKeyUWARUFWLIWEEOT-UHFFFAOYSA-N
XLogP2.45
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 155539485) is 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine is CNCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UWARUFWLIWEEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-20-12-14-9-5-6-10-15(14)16-22-17(19)24-18(23-16)21-11-13-7-3-2-4-8-13/h2-10,20H,11-12H2,1H3,(H3,19,21,22,23,24).
What are the key properties of 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-[2-(methylaminomethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155539485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).