Cas no 101803-07-0 (Pyrimidine,2-methoxy-5-(1-propyn-1-yl)-)
101803-07-0 structure
Product Name:Pyrimidine,2-methoxy-5-(1-propyn-1-yl)-
CAS No:101803-07-0
MF:C8H8N2O
MW:148.16192150116
CID:124749
PubChem ID:15087552
Update Time:2025-04-18
Pyrimidine,2-methoxy-5-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2-methoxy-5-(1-propyn-1-yl)-
- Pyrimidine, 2-methoxy-5-(1-propynyl)- (9CI)
- 2-methoxy-5-(1-propynyl)pyrimidine
- 2-methoxy-5-prop-1-ynylpyrimidine
- 101803-07-0
- DTXSID401285205
- SOOLYZJGVFUHPX-UHFFFAOYSA-N
- SCHEMBL10340172
- 2-Methoxy-5-(1-propyn-1-yl)pyrimidine
-
- Inchi： 1S/C8H8N2O/c1-3-4-7-5-9-8(11-2)10-6-7/h5-6H,1-2H3
- InChI Key： SOOLYZJGVFUHPX-UHFFFAOYSA-N
- SMILES： O(C)C1N=CC(C#CC)=CN=1
Computed Properties
- Exact Mass: 148.06374
- Monoisotopic Mass: 148.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 171
- 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: 1.3
- Topological Polar Surface Area: 35?2
Experimental Properties
- PSA: 35.01
Pyrimidine,2-methoxy-5-(1-propyn-1-yl)- 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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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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