1-ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Basic information
- CAS
500104-35-8- Standard SMILES
CCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21- InChIKey
GUPVSGWVLKRRLX-UHFFFAOYSA-N- Molecular formula
- C23H23N5O2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.18517499
Names & identifiers
- Preferred name
- 1-ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
- IUPAC
- 7-ethyl-6-imino-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- English name
- 1-ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide
- Molecular formula
- C23H23N5O2
- Molecular weight
- 401.46
Names & synonyms
1-ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide500104-35-8STK794084AKOS000529039EU-0014170Z577813401-ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide1-ethyl-2-imino-10-methyl-5-oxo-N-phenethyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide1-ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-ethyl-1,5-dihydro-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-
Database identifiers
- CAS
500104-35-8- PubChem CID
- 1077488
- EC Number
- 125-519-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 931
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.20(Predicted)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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