Cas no 61457-03-2 (5-Pyrimidinamine, 4,6-dichloro-2-(2,2-dimethylpropyl)-)
61457-03-2 structure
Product Name:5-Pyrimidinamine, 4,6-dichloro-2-(2,2-dimethylpropyl)-
CAS No:61457-03-2
MF:C9H13Cl2N3
MW:234.125619649887
CID:478596
PubChem ID:12320345
Update Time:2025-04-19
5-Pyrimidinamine, 4,6-dichloro-2-(2,2-dimethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinamine, 4,6-dichloro-2-(2,2-dimethylpropyl)-
- 4,6-dichloro-2-(2,2-dimethylpropyl)pyrimidin-5-amine
- 4,6-dichloro-2-neopentylpyrimidin-5-amine
- 61457-03-2
- DTXSID90488398
-
- Inchi： 1S/C9H13Cl2N3/c1-9(2,3)4-5-13-7(10)6(12)8(11)14-5/h4,12H2,1-3H3
- InChI Key： DHBSKPZNMVCUEZ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(CC(C)(C)C)=N1)Cl)N
Computed Properties
- Exact Mass: 233.04889
- 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: 2
- Complexity: 181
- 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: 3.5
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.8
5-Pyrimidinamine, 4,6-dichloro-2-(2,2-dimethylpropyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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