Cas no 89099-63-8 (4-Pyrimidinamine, N-butyl-2,6-dichloro-)
89099-63-8 structure
Product Name:4-Pyrimidinamine, N-butyl-2,6-dichloro-
CAS No:89099-63-8
MF:C8H11Cl2N3
MW:220.099039316177
CID:612394
PubChem ID:71304560
Update Time:2025-04-19
4-Pyrimidinamine, N-butyl-2,6-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine, N-butyl-2,6-dichloro-
- N-BUTYL-2,6-DICHLOROPYRIMIDIN-4-AMINE
- 89099-63-8
- DTXSID30745311
- J-523524
-
- Inchi： 1S/C8H11Cl2N3/c1-2-3-4-11-7-5-6(9)12-8(10)13-7/h5H,2-4H2,1H3,(H,11,12,13)
- InChI Key： QEZPWFIHTGMCCM-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)Cl)NCCCC
Computed Properties
- Exact Mass: 219.0330028g/mol
- Monoisotopic Mass: 219.0330028g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 145
- 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: 3.7
- Topological Polar Surface Area: 37.8?2
4-Pyrimidinamine, N-butyl-2,6-dichloro- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
89099-63-8 (4-Pyrimidinamine, N-butyl-2,6-dichloro-) Related Products
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