Cas no 1993-06-2 (4-Chloro-6-(methylimino)-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine)
1993-06-2 structure
Product Name:4-Chloro-6-(methylimino)-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine
CAS No:1993-06-2
MF:C6H6ClF3N4
MW:226.586849689484
CID:3035317
PubChem ID:247779
Update Time:2025-04-21
4-Chloro-6-(methylimino)-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine Chemical and Physical Properties
Names and Identifiers
-
- CTK8H3312; AR-1H1471; 6-chloro-N4-ethyl-2-trifluoromethyl-pyrimidine-4,5-diamine; 6-chloro-n4-ethyl-2-(trifluoromethyl)pyrimidine-4,5-diamine; NSC63340; AC1Q4JWR; 6-chloro-N4-methyl-2-trifluoromethyl-pyrimidine-4,5-diamine; AC1L6L8N; AKOS000320357;
- NSC63093
- 1993-06-2
- DTXSID50941838
- AKOS000320354
- 4-Chloro-6-(methylimino)-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine
- NSC-63093
-
- Inchi： 1S/C6H6ClF3N4/c1-12-4-2(11)3(7)13-5(14-4)6(8,9)10/h11H2,1H3,(H,12,13,14)
- InChI Key： DRFWHZKIYVGZHK-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(C(F)(F)F)=N1)NC)N
Computed Properties
- Exact Mass: 226.02348
- Monoisotopic Mass: 226.0233084Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 200
- 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: 1.7
- Topological Polar Surface Area: 63.8?2
Experimental Properties
- PSA: 63.83
- LogP: 2.42690
4-Chloro-6-(methylimino)-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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