Cas no 74954-62-4 (4-Pyrimidinamine,5-ethynyl-2-methoxy-)
74954-62-4 structure
Product Name:4-Pyrimidinamine,5-ethynyl-2-methoxy-
CAS No:74954-62-4
MF:C7H7N3O
MW:149.149980783463
CID:557567
PubChem ID:45079401
Update Time:2025-04-19
4-Pyrimidinamine,5-ethynyl-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,5-ethynyl-2-methoxy-
- 4-Pyrimidinamine, 5-ethynyl-2-methoxy- (9CI)
- 5-ethynyl-2-methoxypyrimidin-4-amine
- 4-Pyrimidinamine,5-ethynyl-2-methoxy-(9ci)
- 74954-62-4
- DTXSID40663693
-
- Inchi： 1S/C7H7N3O/c1-3-5-4-9-7(11-2)10-6(5)8/h1,4H,2H3,(H2,8,9,10)
- InChI Key： NMWXKZPSPHSPLW-UHFFFAOYSA-N
- SMILES： O(C)C1=NC=C(C#C)C(N)=N1
Computed Properties
- Exact Mass: 149.059
- Monoisotopic Mass: 149.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 61A^2
- XLogP3: 0.4
4-Pyrimidinamine,5-ethynyl-2-methoxy- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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