Basic information
- CAS
333325-08-9- Standard SMILES
N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N- InChIKey
GCRZDZKWKPIVGJ-UHFFFAOYSA-N- Molecular formula
- C20H15N5O
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.12766012
Names & identifiers
- Preferred name
- 2-Imino-5-oxo-1-(2-phenylethyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile
- IUPAC
- 6-imino-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
- English name
- 2-imino-5-oxo-1-(2-phenylethyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile
- Molecular formula
- C20H15N5O
- Molecular weight
- 341.37
Names & synonyms
2-imino-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrileOprea1_366341Oprea1_401115STK978207AKOS000575765333325-08-9ST50067630Z556706382-imino-5-oxo-1-(2-phenylethyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile2-IMINO-5-OXO-1-(2-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBONITRILE2-imino-5-oxo-1-phenethyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile6-imino-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Show more names
2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1,5-dihydro-2-imino-5-oxo-1-(2-phenylethyl)-
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 858
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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