1-Allyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
Basic information
- CAS
371140-59-9- Standard SMILES
C=CCn1c(=N)c(C(=O)NC)cc2c(=O)n3cccc(C)c3nc21- InChIKey
YICAOAUPPBJQBF-UHFFFAOYSA-N- Molecular formula
- C17H17N5O2
- Average molar mass
- 323.35 g/mol
- Monoisotopic mass
- 323.1382248
Names & identifiers
- Preferred name
- 1-Allyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
- IUPAC
- 6-imino-N,11-dimethyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- English name
- 2-imino-N,10-dimethyl-5-oxo-1-prop-2-enyldipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide
- Molecular formula
- C17H17N5O2
- Molecular weight
- 323.35
Names & synonyms
1-ALLYL-2-IMINO-N,10-DIMETHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE371140-59-92-imino-N,10-dimethyl-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideSTK703521AKOS000528735EU-0080925ST50088813SR-01000111862SR-01000111862-1Z577817941-allyl-2-imino-N,10-dimethyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide6-imino-N,11-dimethyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Show more names
2-imino-N,10-dimethyl-5-oxo-1-prop-2-enyldipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1,5-dihydro-2-imino-N,10-dimethyl-5-oxo-1-(2-propen-1-yl)-
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 826
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 12.08 · 12.08±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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…