Basic information
- CAS
90799-81-8- Standard SMILES
Nc1cc(Cl)nc(-c2ccccc2)n1- InChIKey
WPEJJLBDMKBGII-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.040675
Names & identifiers
- Preferred name
- 6-Chloro-2-phenylpyrimidin-4-amine
- IUPAC
- 6-chloro-2-phenylpyrimidin-4-amine
- English name
- 6-chloro-2-phenylpyrimidin-4-amine
- Molecular formula
- C10H8ClN3
- Molecular weight
- 205.64
Names & synonyms
6-chloro-2-phenylpyrimidin-4-amine90799-81-86-CHLORO-2-PHENYL-4-PYRIMIDINAMINEMFCD12498708NSC2510716-Chloro-2-phenylpyrimidin-4-ylamineSCHEMBL3156245DTXSID40312199WPEJJLBDMKBGII-UHFFFAOYSA-N4-amino-6-chloro-2-phenylpyrimidineSBB0935466-chloro-2-phenyl-pyrimidin-4-amine
Show more names
6-chloro-2-phenylpyrimidine-4-ylamineAKOS0050727644-Pyrimidinamine, 6-chloro-2-phenyl-FD-0704NSC-251071SB57990DA-01237H41307
Database identifiers
- CAS
90799-81-8- PubChem CID
- 317747
- DTXSID
DTXSID40312199- Nikkaji
- J3.462.860B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 135 · 135~137℃
- Boiling point
- 273.7 · 273.7±33.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 2.11 · 2.11±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
14 records
Compound notes
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