Cas no 569657-40-5 (2-Amino-6-ethoxypyrimidine-4-carbaldehyde)
569657-40-5 structure
Product Name:2-Amino-6-ethoxypyrimidine-4-carbaldehyde
CAS No:569657-40-5
MF:C7H9N3O2
MW:167.165261030197
CID:877209
Update Time:2023-08-02
2-Amino-6-ethoxypyrimidine-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxaldehyde,2-amino-6-ethoxy-(9CI)
- 2-Amino-6-ethoxypyrimidine-4-carbaldehyde
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- Inchi： 1S/C7H9N3O2/c1-2-12-6-3-5(4-11)9-7(8)10-6/h3-4H,2H2,1H3,(H2,8,9,10)
- InChI Key： LTLHAORIJZYGKD-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=O)N=C(N)N=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 154
- Topological Polar Surface Area: 78.1
2-Amino-6-ethoxypyrimidine-4-carbaldehyde 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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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