Basic information
- CAS
1211443-61-6- Standard SMILES
CN(C)C(=O)c1cc2cnc(Cl)nc2n1C1CCCC1- InChIKey
PMDDQOHZLBZUSO-UHFFFAOYSA-N- Molecular formula
- C14H17ClN4O
- Average molar mass
- 292.76 g/mol
- Monoisotopic mass
- 292.10908884
Names & identifiers
- Preferred name
- 2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
- IUPAC
- 2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
- English name
- 2-Chloro-7-cyclopentyl-N,N-dimethyl-H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
- Molecular formula
- C14H17ClN4O
- Molecular weight
- 292.76
Names & synonyms
2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamideDTXSID7010211912-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo(2,3-d)pyrimidine-6-carboxamideRefChem:469738DTXCID301506242808-234-21211443-61-6MFCD20527881AQ9LDB3Z8S7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chloro-7-cyclopentyl-N,N-diMethyl-Ribociclib chloro amide impurity2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
Show more names
EOS-60967Ribociclib-1RIBOCICLIB INTRIBOCICLIB INT3(Chloro Amide Impurity)Ribociclib Intermediate 3Ribociclib Intermediate 4Ribociclib Chloro Amide IMP
7H-Pyrrolo(2,3-d)pyrimidine-6-carboxamide, 2-chloro-7-cyclopentyl-N,N-dimethyl-2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamideUNII-AQ9LDB3Z8SSCHEMBL1990321SCHEMBL29988033PMDDQOHZLBZUSO-UHFFFAOYSA-NCS-B1515AKOS026674082
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 20-25℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Solid:particulate/powder
- pka
- 2.78 · 2.78±0.30(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C14H17ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
- InChIKey
- PMDDQOHZLBZUSO-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C2C=C(C(N(C)C)=O)N(C3CCCC3)C2=N1
- LogP
- 2.4 at · 2.4 at 20℃ and pH7
- CAS DataBase Reference
- 1211443 · 1211443-61-6
- FDA UNII
- 9 LDB3Z8S · AQ9LDB3Z8S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H412
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 17-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26706
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P280
Chemistry & industry
Applications
Uses2-Chloro-7-cyclopentyl-N,N-dimethyl-H-pyrrolo[2,3-d]pyrimidine-6-carboxamide belongs to pyrimidine derivatives,it is used in the synthesis of ribociclib intermediates.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海靖灏医药科技有限公司+86-21-68900963 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海波以尔化工有限公司[email protected]
Related reactions
144 records
Compound notes
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