7H-Pyrrolo(2,3-d)pyrimidine-7-carboxylic acid, 4-chloro-5,6-dihydro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester
Basic information
- CAS
1439823-58-1- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(Cl)nc(N3CCOCC3)nc21- InChIKey
KIRKODQVRWDSEC-UHFFFAOYSA-N- Molecular formula
- C15H21ClN4O3
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.1302182
Names & identifiers
- Preferred name
- 7H-Pyrrolo(2,3-d)pyrimidine-7-carboxylic acid, 4-chloro-5,6-dihydro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylate
- English name
- Tert-butyl 4-chloro-2-Morpholino-5H-pyrrolo[2,3-d]pyriMidine-7(6H)-carboxylate
- Molecular formula
- C15H21ClN4O3
- Molecular weight
- 340.81
Names & synonyms
1439823-58-17H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-5,6-dihydro-2-(4-morpholinyl)-, 1,1-dimethylethyl ester7H-Pyrrolo(2,3-d)pyrimidine-7-carboxylic acid, 4-chloro-5,6-dihydro-2-(4-morpholinyl)-, 1,1-dimethylethyl esterRefChem:311500tert-Butyl 4-chloro-2-morpholino-5H-pyrrolo[2,3-d]pyrimidine-7(6H)-carboxylatetert-butyl 4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylatetert-butyl 4-chloro-2-morpholino-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylateTert-butyl 4-chloro-2-morpholino-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylatetert-Butyl 4-chloro-2-morpholino-5H-pyrrolo-[2,3-d]pyrimidine-7(6H)-carboxylateMFCD22690821DTXSID001108112CS2655
Show more names
4-Chloro-6,7-dihydro-2-(morpholin-4-yl)-5H-pyrrolo[2,3-d]pyrimidine,N7-BOCprotected
AKOS024463107DA-44685CS-0446576F4623544-Chloro-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, N7-BOC protectedTert-butyl4-chloro-2-morpholino-5H-pyrrolo[2,3-d]pyrimidine-7(6H)-carboxylate
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- HS Code
- 2933399990 · 2933399990
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%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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