Cas no 96833-56-6 ( )
structure
Product Name:
CAS No:96833-56-6
MF:C7H10ClN3O
MW:187.626800060272
CID:1002054
PubChem ID:53440084
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- 4-CHLORO-2-ETHYL-6-METHOXY-5-PYRIMIDINAMINE
- 4-chloro-2-ethyl-6-methoxypyrimidin-5-amine
- DTXSID40702354
- AKOS006307211
- 96833-56-6
-
-
- Inchi： 1S/C7H10ClN3O/c1-3-4-10-6(8)5(9)7(11-4)12-2/h3,9H2,1-2H3
- InChI Key： HWYQOSUETSTXGW-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(CC)N=1)OC)N
Computed Properties
- Exact Mass: 187.0512396g/mol
- Monoisotopic Mass: 187.0512396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 61?2
Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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