6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H20N6 — CID 34600632

IUPAC6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccccc1)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H20N6/c1-19(2)14-17-12(16-13(15)18-14)10-20(3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyZEVVGYWYGHIJKF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.15
Rot. Bonds5

About 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34600632) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34600632
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccccc1)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H20N6/c1-19(2)14-17-12(16-13(15)18-14)10-20(3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyZEVVGYWYGHIJKF-UHFFFAOYSA-N
XLogP1.15
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34600632) is 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(Cc1ccccc1)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZEVVGYWYGHIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-19(2)14-17-12(16-13(15)18-14)10-20(3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34600632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).