5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Basic information
- CAS
92872-51-0- Standard SMILES
Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1- InChIKey
WPVMVODGPNYYEV-UHFFFAOYSA-N- Molecular formula
- C16H13N5
- Average molar mass
- 275.31 g/mol
- Monoisotopic mass
- 275.11709544
Names & identifiers
- Preferred name
- 5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- IUPAC
- 5-methyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- English name
- 5-methyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- Molecular formula
- C16H13N5
- Molecular weight
- 275.31
Names & synonyms
92872-51-05-methyl-n-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine5-methyl-N-(naphthalen-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidin-7-amineRefChem:537235892-566-8GW648495TCMDC-125840(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-naphthalen-2-yl-amine5-methyl-N-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amineMFCD01099828PfDHODH-IN-3DSM-1
Show more names
GW-648495GW 648495DHODH Inhibitor, DSM1[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, 5-methyl-N-2-naphthalenyl-
Oprea1_485733MLS000077665CHEMBL475813orb1703398SCHEMBL4935254JMC521864 Compund DSM1BDBM24400DTXSID901357102
Database identifiers
- CAS
92872-51-0- PubChem CID
- 660996
- DTXSID
DTXSID901357102- ChEMBL
CHEMBL475813- EC Number
- 892-566-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL · DMSO: 50mg/mL
- pka
- 2.96 · 2.96±0.40(Predicted)
- form
- solid
- color
- off-white
- SMILES
- CC1=NC2=NC=NN2C(=C1)NC3=CC4=CC=CC=C4C=C3
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionGW648495 is an inhibitor of PfDHODH. It shows greater than 4,000-fold selectivity for the malarial enzyme.
UsesPfDHODH-IN-3 (compound 2) is an orally active PfDHODH inhibitor with strong antimalarial activity (IC50=47 nM). PfDHODH-IN-3 can inhibit the growth of Plasmodium in animals[1].
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Compound notes
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