Cas no 89099-65-0 (4-Pyrimidinamine, 2,6-dichloro-N-pentyl-)
89099-65-0 structure
Product Name:4-Pyrimidinamine, 2,6-dichloro-N-pentyl-
CAS No:89099-65-0
MF:C9H13Cl2N3
MW:234.125619649887
CID:612392
PubChem ID:71322033
Update Time:2025-04-19
4-Pyrimidinamine, 2,6-dichloro-N-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine, 2,6-dichloro-N-pentyl-
- 2,6-dichloro-N-pentylpyrimidin-4-amine
- SCHEMBL2578650
- DTXSID60751763
- 89099-65-0
-
- Inchi： 1S/C9H13Cl2N3/c1-2-3-4-5-12-8-6-7(10)13-9(11)14-8/h6H,2-5H2,1H3,(H,12,13,14)
- InChI Key： WKTISPHJFHDOKB-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)Cl)NCCCCC
Computed Properties
- Exact Mass: 233.0486528g/mol
- Monoisotopic Mass: 233.0486528g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 157
- 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: 4.2
- Topological Polar Surface Area: 37.8?2
4-Pyrimidinamine, 2,6-dichloro-N-pentyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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