Cas no 55199-60-5 (6-chloro-N-cyclohexyl-2-(methylthio)pyrimidin-4-amine)
55199-60-5 structure
Product Name:6-chloro-N-cyclohexyl-2-(methylthio)pyrimidin-4-amine
CAS No:55199-60-5
MF:C10H14ClN3S
MW:243.756259441376
CID:1113809
PubChem ID:71438371
Update Time:2025-04-20
6-chloro-N-cyclohexyl-2-(methylthio)pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
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- 6-chloro-N-cyclohexyl-2-(methylthio)pyrimidin-4-amine
- 4-chloro-2-(methyltio)-6-(piperidin-1-yl)pyrimidine
- 2-Methylthio-4-chloro-6-piperidinopyrimidine
- 4-Chloro-2-methylthio-6-(piperidin-1-yl)pyrimidine
- DB-305551
- 4-chloro-2-(methylithio)-6-(piperidin-1-yl)pyrimidine
- 4-chloro-2-(methylthio)-6-(piperidin-1-yl)pyrimidine
- 55199-60-5
-
- Inchi： 1S/C10H14ClN3S/c1-15-10-12-8(11)7-9(13-10)14-5-3-2-4-6-14/h7H,2-6H2,1H3
- InChI Key： MBMLHMFYKRILAT-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)SC)N1CCCCC1
Computed Properties
- Exact Mass: 243.06
- Monoisotopic Mass: 243.06
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 199
- 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
- Topological Polar Surface Area: 54.3A^2
- XLogP3: 3.3
Experimental Properties
- Density: 1.30±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.024 g/l) (25 o C),
6-chloro-N-cyclohexyl-2-(methylthio)pyrimidin-4-amine Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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