Cas no 1191094-86-6 (4-Cyclopentyl-2-methylpyrimidine-5-carboxylic acid)
1191094-86-6 structure
Product Name:4-Cyclopentyl-2-methylpyrimidine-5-carboxylic acid
CAS No:1191094-86-6
MF:C11H14N2O2
MW:206.241062641144
CID:2143966
Update Time:2023-08-04
4-Cyclopentyl-2-methylpyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Cyclopentyl-2-methylpyrimidine-5-carboxylic acid
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- Inchi： 1S/C11H14N2O2/c1-7-12-6-9(11(14)15)10(13-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,14,15)
- InChI Key： WIRAARYCNDYZDK-UHFFFAOYSA-N
- SMILES： OC(C1=CN=C(C)N=C1C1CCCC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- Topological Polar Surface Area: 63.1
4-Cyclopentyl-2-methylpyrimidine-5-carboxylic acid Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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