Cas no 351447-46-6 (1(4H)-Pyrimidinecarboxylicacid, 2-amino-5,6-dihydro-, 1,1-dimethylethyl ester)
351447-46-6 structure
Product Name:1(4H)-Pyrimidinecarboxylicacid, 2-amino-5,6-dihydro-, 1,1-dimethylethyl ester
CAS No:351447-46-6
MF:C9H17N3O2
MW:199.250181913376
CID:302933
PubChem ID:45089505
Update Time:2025-04-19
1(4H)-Pyrimidinecarboxylicacid, 2-amino-5,6-dihydro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1(4H)-Pyrimidinecarboxylicacid, 2-amino-5,6-dihydro-, 1,1-dimethylethyl ester
- tert-butyl 2-amino-5,6-dihydro-4H-pyrimidine-1-carboxylate
- FT-0752157
- SCHEMBL6106595
- tert-butyl2-amino-5,6-dihydropyrimidine-1(4H)-carboxylate
- 351447-46-6
- tert-butyl 2-amino-5,6-dihydropyrimidine-1(4H)-carboxylate
- t-butyl 2-amino-5,6-dihydropyrimidine-1(4h)-carboxylate
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- Inchi： 1S/C9H17N3O2/c1-9(2,3)14-8(13)12-6-4-5-11-7(12)10/h4-6H2,1-3H3,(H2,10,11)
- InChI Key： DITMMUXXWXWCJU-UHFFFAOYSA-N
- SMILES： O(C(N1C(N)=NCCC1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 199.132
- Monoisotopic Mass: 199.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 255
- 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
- Topological Polar Surface Area: 67.9A^2
- XLogP3: 0.9
1(4H)-Pyrimidinecarboxylicacid, 2-amino-5,6-dihydro-, 1,1-dimethylethyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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