1-Allyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
Basic information
- CAS
510761-42-9- Standard SMILES
C=CCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21- InChIKey
QSPXCGPXELDRBK-UHFFFAOYSA-N- Molecular formula
- C21H23N5O2
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.18517499
Names & identifiers
- Preferred name
- 1-Allyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
- IUPAC
- N-cyclopentyl-6-imino-11-methyl-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
Names & synonyms
510761-42-91-ALLYL-N-CYCLOPENTYL-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE1-Allyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamideRefChem:429116645-549-21-Allyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideN-cyclopentyl-6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamideMFCD03509699STK703697AKOS000529126ZINC000100627540ST50067040
Show more names
Z577839851allylNcyclopentyl2imino10methyl5oxo25dihydro1Hdipyrido(12a23d)pyrimidine3carboxamide1-ALLYL-N-CYCLOPENTYL-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDEN-cyclopentyl-2-imino-10-methyl-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideNcyclopentyl2imino10methyl5oxo1(prop2en1yl)15dihydro2Hdipyrido(12a23d)pyrimidine3carboxamide
Database identifiers
- CAS
510761-42-9- PubChem CID
- 1077409
- EC Number
- 645-549-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 928
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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