Cas no 61456-98-2 (5-Pyrimidinamine, 4,6-dichloro-2-(1-methylethyl)-)
61456-98-2 structure
Product Name:5-Pyrimidinamine, 4,6-dichloro-2-(1-methylethyl)-
CAS No:61456-98-2
MF:C7H9Cl2N3
MW:206.072458982468
CID:478601
PubChem ID:12320340
Update Time:2025-04-19
5-Pyrimidinamine, 4,6-dichloro-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinamine, 4,6-dichloro-2-(1-methylethyl)-
- 4,6-DICHLORO-2-(1-METHYLETHYL)-5-PYRIMIDINAMINE
- 4,6-dichloro-2-propan-2-ylpyrimidin-5-amine
- 61456-98-2
- SCHEMBL5238156
- 4,6-dichloro-2-isopropylpyrimidin-5-amine
- SY347352
- DTXSID90488393
- MFCD11219205
- 4,6-Dichloro-2-(propan-2-yl)pyrimidin-5-amine
-
- Inchi： 1S/C7H9Cl2N3/c1-3(2)7-11-5(8)4(10)6(9)12-7/h3H,10H2,1-2H3
- InChI Key： ITFDRXZFLKKUCK-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(C(C)C)=N1)Cl)N
Computed Properties
- Exact Mass: 205.01757
- Monoisotopic Mass: 205.0173527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 2.6
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.8
5-Pyrimidinamine, 4,6-dichloro-2-(1-methylethyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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