Cas no 81401-28-7 (4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine)
81401-28-7 structure
Product Name:4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine
CAS No:81401-28-7
MF:C9H11ClN2
MW:182.650040864944
CID:2803046
PubChem ID:12860322
Update Time:2025-04-21
4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 81401-28-7
- SCHEMBL9024724
- 5-allyl-2,4-dimethyl-6-chloropyrimidine
- DTXCID60462509
- 4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine
- DTXSID00511702
-
- Inchi： 1S/C9H11ClN2/c1-4-5-8-6(2)11-7(3)12-9(8)10/h4H,1,5H2,2-3H3
- InChI Key： HRICCAXUSJZGKF-UHFFFAOYSA-N
- SMILES： ClC1=C(CC=C)C(C)=NC(C)=N1
Computed Properties
- Exact Mass: 182.0610761Da
- Monoisotopic Mass: 182.0610761Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 3
- Topological Polar Surface Area: 25.8?2
4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
81401-28-7 (4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine) Related Products
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