Cas no 867065-84-7 (1(4H)-Pyrimidinecarboxylic acid, 5,6-dihydro-, 1,1-dimethylethyl ester)
867065-84-7 structure
Product Name:1(4H)-Pyrimidinecarboxylic acid, 5,6-dihydro-, 1,1-dimethylethyl ester
CAS No:867065-84-7
MF:C9H16N2O2
MW:184.235542297363
CID:4262393
PubChem ID:59679260
Update Time:2025-04-24
1(4H)-Pyrimidinecarboxylic acid, 5,6-dihydro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1(4H)-Pyrimidinecarboxylic acid, 5,6-dihydro-, 1,1-dimethylethyl ester
- tert-butyl5,6-dihydropyrimidine-1(4h)-carboxylate
- 867065-84-7
- SCHEMBL14164266
- tert-butyl 5,6-dihydropyrimidine-1(4h)-carboxylate
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- Inchi： 1S/C9H16N2O2/c1-9(2,3)13-8(12)11-6-4-5-10-7-11/h7H,4-6H2,1-3H3
- InChI Key： ZJFAJXKVQGTZRK-UHFFFAOYSA-N
- SMILES： C1N(C(OC(C)(C)C)=O)CCCN=1
Computed Properties
- Exact Mass: 184.121177757Da
- Monoisotopic Mass: 184.121177757Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 0.9
- Topological Polar Surface Area: 41.9?2
1(4H)-Pyrimidinecarboxylic acid, 5,6-dihydro-, 1,1-dimethylethyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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