Cas no 1214254-81-5 (4-Chloro-2-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine)
1214254-81-5 structure
Product Name:4-Chloro-2-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine
CAS No:1214254-81-5
MF:C9H11Cl2N3
MW:232.109739542007
CID:2135382
Update Time:2023-08-04
4-Chloro-2-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine Chemical and Physical Properties
Names and Identifiers
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- 4-chloro-2-(chloromethyl)-6-(1-pyrrolidinyl)Pyrimidine
- AHVPHRWMPOFCRZ-UHFFFAOYSA-N
- 4-chloro-2-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine
- 4-Chloro-2-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine
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- Inchi： 1S/C9H11Cl2N3/c10-6-8-12-7(11)5-9(13-8)14-3-1-2-4-14/h5H,1-4,6H2
- InChI Key： AHVPHRWMPOFCRZ-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(CCl)=N1)N1CCCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 185
- Topological Polar Surface Area: 29
4-Chloro-2-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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