Cas no 77204-21-8 (4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)-)
77204-21-8 structure
Product Name:4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)-
CAS No:77204-21-8
MF:C10H13N3
MW:175.230321645737
CID:549168
PubChem ID:12682965
Update Time:2025-04-19
4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)-
- 4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)-(9CI)
- 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)acetonitrile
- 77204-21-8
- AKOS012506161
- 2-(2-Isopropyl-6-methylpyrimidin-4-yl)acetonitrile
-
- Inchi： 1S/C10H13N3/c1-7(2)10-12-8(3)6-9(13-10)4-5-11/h6-7H,4H2,1-3H3
- InChI Key： FETVMZZIWBMLEG-UHFFFAOYSA-N
- SMILES： N1C(CC#N)=CC(C)=NC=1C(C)C
Computed Properties
- Exact Mass: 175.110947427g/mol
- Monoisotopic Mass: 175.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 204
- 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: 1.5
- Topological Polar Surface Area: 49.6?2
4-Pyrimidineacetonitrile,6-methyl-2-(1-methylethyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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