Basic information
- CAS
858955-37-0- Standard SMILES
CCOC(=O)c1nc(-c2ccc(Cl)cc2)nc(N)c1Cl- InChIKey
PXCZEJRHVNHLHI-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2N3O2
- Average molar mass
- 312.15 g/mol
- Monoisotopic mass
- 311.02283195
Names & identifiers
- Preferred name
- Ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate
- IUPAC
- ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate
- English name
- Ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate
- Molecular formula
- C13H11Cl2N3O2
- Molecular weight
- 312.15
Names & synonyms
858955-37-0Ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylateEthyl 6-amino-5-chloro-2-(4-chlorophenyl)-pyrimidine-4-carboxylateSCHEMBL1535585DTXSID20676908PXCZEJRHVNHLHI-UHFFFAOYSA-NEthyl6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylateAKOS015917682SB58278DA-19222E70461ethyl 6-amino-5-chloro-2-(4-chlorophenyl)-4-pyrimidinecarboxylate
Show more names
6-Amino-5-chloro-2-(4-chloro-phenyl)-pyrimidine-4-carboxylic acid ethyl ester4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-(4-chlorophenyl)-, ethyl ester
Database identifiers
- CAS
858955-37-0- PubChem CID
- 46863983
- DTXSID
DTXSID20676908
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
3 records
Compound notes
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