Cas no 102207-68-1 (4-Pyrimidinamine,5-butyl-6-chloro-2-methyl-)
102207-68-1 structure
Product Name:4-Pyrimidinamine,5-butyl-6-chloro-2-methyl-
CAS No:102207-68-1
MF:C9H14ClN3
MW:199.680560588837
CID:190502
PubChem ID:3025147
Update Time:2025-04-19
4-Pyrimidinamine,5-butyl-6-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,5-butyl-6-chloro-2-methyl-
- 5-butyl-6-chloro-2-methylpyrimidin-4-amine
- 4-Amino-5-butyl-6-chloro-2-methylpyrimidine
- 102207-68-1
- BRN 0150506
- 4-25-00-02238 (Beilstein Handbook Reference)
- DTXSID30144789
- Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
-
- Inchi： 1S/C9H14ClN3/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3,(H2,11,12,13)
- InChI Key： GKQYZHWWZGNONQ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N)=NC(C)=N1)CCCC
Computed Properties
- Exact Mass: 199.08782
- Monoisotopic Mass: 199.0876252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 154
- 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: 3.1
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.8
4-Pyrimidinamine,5-butyl-6-chloro-2-methyl- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
102207-68-1 (4-Pyrimidinamine,5-butyl-6-chloro-2-methyl-) Related Products
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- 89852-86-8(5-Pyrimidineacetonitrile,4-amino-2-methyl-)
- 4038-50-0(2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)-)
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- 94087-77-1(2,4,6-Pyrimidinetriamine,5-tetradecyl-)
- 27228-43-9(4-Pyrimidinamine,5-ethyl-)
- 27228-44-0(4-Pyrimidinamine,5-propyl-)
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