Methyl 2-chloro-4-morpholinopyrido[2,3-d]pyrimidine-7-carboxylate
Basic information
- CAS
1227958-54-4- Standard SMILES
COC(=O)c1ccc2c(N3CCOCC3)nc(Cl)nc2n1- InChIKey
YUFPNTVTPKNZLN-UHFFFAOYSA-N- Molecular formula
- C13H13ClN4O3
- Average molar mass
- 308.72 g/mol
- Monoisotopic mass
- 308.067618
Names & identifiers
- Preferred name
- Methyl 2-chloro-4-morpholinopyrido[2,3-d]pyrimidine-7-carboxylate
- IUPAC
- methyl 2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-7-carboxylate
- English name
- Methyl 2-chloro-4-Morpholinopyrido[2,3-d]pyriMidine-7-carboxylate
- Molecular formula
- C13H13ClN4O3
- Molecular weight
- 308.72
Names & synonyms
1227958-54-4Methyl 2-chloro-4-morpholinopyrido[2,3-d]pyrimidine-7-carboxylateMethyl 2-chloro-4-morpholinopyrido-[2,3-d]pyrimidine-7-carboxylatemethyl 2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-7-carboxylatemethyl 2-chloro-4-morpholino-pyrido[2,3-d]pyrimidine-7-carboxylateMFCD21648263DTXSID10744307Methyl2-chloro-4-morpholinopyrido[2,3-d]pyrimidine-7-carboxylateCS2178AKOS016000364methyl 2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidine-7-carboxylateDB-360670
Show more names
Pyrido[2,3-d]pyrimidine-7-carboxylic acid, 2-chloro-4-(4-morpholinyl)-, methyl ester
CS-0443070
Database identifiers
- CAS
1227958-54-4- PubChem CID
- 71299201
- DTXSID
DTXSID10744307
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 469.8 · 469.8±45.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.46 · 1.46±0.30(Predicted)
- 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.
Safety data
- hs_code
- 2933399990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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