Cas no 132938-37-5 (4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine)
132938-37-5 structure
Product Name:4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine
CAS No:132938-37-5
MF:C8H8ClN3
MW:181.622220039368
CID:64229
PubChem ID:53416190
Update Time:2025-04-18
4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine
- 6-Chloro-4-methyl-5-(2-propynyl)-2-pyrimidinamine
- 4-chloro-6-methyl-5-prop-2-ynylpyrimidin-2-amine
- 2-Amino-4-chloro-6-methyl-5-(2-propynyl)pyrimidine
- 2-Pyrimidinamine,4-chloro-6-methyl-5-(2-propyn-1-yl)
- 2-Pyrimidinamine,4-chloro-6-methyl-5-(2-propynyl)-(9CI)
- AKOS006237151
- 132938-37-5
- AMY25973
- DTXSID80697139
- 4-CHLORO-6-METHYL-5-(PROP-2-YN-1-YL)PYRIMIDIN-2-AMINE
- 2-Pyrimidinamine, 4-chloro-6-methyl-5-(2-propyn-1-yl)-
-
- Inchi： 1S/C8H8ClN3/c1-3-4-6-5(2)11-8(10)12-7(6)9/h1H,4H2,2H3,(H2,10,11,12)
- InChI Key： QWBJSLGKMVRROO-UHFFFAOYSA-N
- SMILES： ClC1=C(CC#C)C(C)=NC(N)=N1
Computed Properties
- Exact Mass: 181.04100
- Monoisotopic Mass: 181.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 198
- 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: 51.8A^2
- XLogP3: 1.8
Experimental Properties
- Density: 1.302
- Boiling Point: 349.3 °C at 760 mmHg
- Flash Point: 165 °C
- Refractive Index: 1.61
- PSA: 51.80000
- LogP: 1.77750
4-Chloro-6-methyl-5-(2-propynyl)-2-pyrimidinamine Related Literature
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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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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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