Cas no 89099-64-9 (4-Pyrimidinamine, 2,6-dichloro-N-(1-methylpropyl)-)
89099-64-9 structure
Product Name:4-Pyrimidinamine, 2,6-dichloro-N-(1-methylpropyl)-
CAS No:89099-64-9
MF:C8H11Cl2N3
MW:220.099039316177
CID:612393
PubChem ID:71322032
Update Time:2025-04-19
4-Pyrimidinamine, 2,6-dichloro-N-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine, 2,6-dichloro-N-(1-methylpropyl)-
- N-butan-2-yl-2,6-dichloropyrimidin-4-amine
- N-(Butan-2-yl)-2,6-dichloropyrimidin-4-amine
- 89099-64-9
- SCHEMBL21996579
- DTXSID00751762
- N-(sec-Butyl)-2,6-dichloropyrimidin-4-amine
-
- Inchi： 1S/C8H11Cl2N3/c1-3-5(2)11-7-4-6(9)12-8(10)13-7/h4-5H,3H2,1-2H3,(H,11,12,13)
- InChI Key： ZYOROIBMHCGJHI-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)Cl)NC(C)CC
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: 3
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 37.8?2
4-Pyrimidinamine, 2,6-dichloro-N-(1-methylpropyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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