2,4-diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine
Product Information
Molecular Formula
C9H13N7
Molecular Weight
219.25
Description
2,4-diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine is a useful synthetic compound in biomedicine. It has potential application as a starting point for the development of novel antimalarial drugs. Particularly potent against Plasmodium falciparum strains.
Synonyms
2,4-Diamino-6-(2'-methylimidazol-1-yl)ethyl-S-triazine; 3,5-Triazine-2,4-diamine,6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1; 5-triazine-2,4-diamine,6-[2-(2-methyl-1h-imidazol-1-yl)ethyl]-3; 2,4-DIAMINO-6-[2-(2-METHYL-1-IMIDAZOLYL)ETHYL]-1,3,5-TRIAZINE; 6-[2-(2
IUPAC Name
6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILES
CC1=NC=CN1CCC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C9H13N7/c1-6-12-3-5-16(6)4-2-7-13-8(10)15-9(11)14-7/h3,5H,2,4H2,1H3,(H4,10,11,13,14,15)
InChI Key
DRQWQDPSMJHCCM-UHFFFAOYSA-N
Boiling Point
601.6±57.0 °C(Predicted)
Melting Point
253 °C
Purity
97.0%
Density
1.53 g/cm3
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
-0.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
219.12324344 g/mol
Monoisotopic Mass
219.12324344 g/mol
Topological Polar Surface Area
109Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
214
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-6954485-B1 | Sealing resin composition for injection molding | 2021-02-17 |
| CN-112724899-A | Underfill adhesive | 2020-12-30 |
| WO-2021261064-A1 | Liquid compression molding material | 2020-06-23 |
| JP-2021152108-A | Resin composition | 2020-03-24 |
| KR-20210119324-A | Resin composition | 2020-03-24 |
| WO-2021182365-A1 | Resin composition and resin sheet | 2020-03-09 |
| JP-2021113247-A | Resin composition and resin sheet | 2020-01-16 |
| WO-2021145414-A1 | Resin sheet | 2020-01-16 |
| WO-2021145415-A1 | Resin sheet | 2020-01-16 |
| WO-2021145416-A1 | Resin sheet | 2020-01-16 |
