Cas no 405928-76-9 (Pyrimidine, 4-(2-pentynyloxy)-6-(2-propynyloxy)- (9CI))
405928-76-9 structure
Product Name:Pyrimidine, 4-(2-pentynyloxy)-6-(2-propynyloxy)- (9CI)
CAS No:405928-76-9
MF:C12H12N2O2
MW:216.235882759094
CID:925950
PubChem ID:12137601
Update Time:2025-04-19
Pyrimidine, 4-(2-pentynyloxy)-6-(2-propynyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-(2-pentynyloxy)-6-(2-propynyloxy)- (9CI)
- 4-(2-Pentyn-1-yloxy)-6-(2-propyn-1-yloxy)pyrimidine
- 4-(2-pentynyloxy)-6-(2-propynyloxy)pyrimidine
- SCHEMBL5402690
- 405928-76-9
- NINOHKMEEQDENV-UHFFFAOYSA-N
-
- Inchi： 1S/C12H12N2O2/c1-3-5-6-8-16-12-9-11(13-10-14-12)15-7-4-2/h2,9-10H,3,7-8H2,1H3
- InChI Key： NINOHKMEEQDENV-UHFFFAOYSA-N
- SMILES： O(CC#CCC)C1C=C(N=CN=1)OCC#C
Computed Properties
- Exact Mass: 216.089877630g/mol
- Monoisotopic Mass: 216.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 307
- 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
- Topological Polar Surface Area: 44.2?2
Pyrimidine, 4-(2-pentynyloxy)-6-(2-propynyloxy)- (9CI) Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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