Cas no 59950-57-1 (5-Amino-2-phenylpyrimidine-4-carboxylic acid)
59950-57-1 structure
Product Name:5-Amino-2-phenylpyrimidine-4-carboxylic acid
CAS No:59950-57-1
MF:C11H9N3O2
MW:215.208061933517
CID:2124714
Update Time:2023-08-04
5-Amino-2-phenylpyrimidine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-amino-2-phenylpyrimidine-4-carboxylic acid
- VBMWROJPEMGLKK-UHFFFAOYSA-N
- 5-amino-2-phenyl-4-pyrimidinecarboxylic acid
- 5-amino-2-phenyl-pyrimidine-4-carboxylic acid
- 4-Pyrimidinecarboxylic acid, 5-amino-2-phenyl-
- 5-Amino-2-phenylpyrimidine-4-carboxylic acid
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- Inchi： 1S/C11H9N3O2/c12-8-6-13-10(14-9(8)11(15)16)7-4-2-1-3-5-7/h1-6H,12H2,(H,15,16)
- InChI Key： VBMWROJPEMGLKK-UHFFFAOYSA-N
- SMILES： OC(C1=C(C=NC(C2C=CC=CC=2)=N1)N)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 254
- Topological Polar Surface Area: 89.1
5-Amino-2-phenylpyrimidine-4-carboxylic acid Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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