Cas no 405928-77-0 (Pyrimidine, 4-(2-butynyloxy)-6-(2-pentynyloxy)- (9CI))
405928-77-0 structure
Product Name:Pyrimidine, 4-(2-butynyloxy)-6-(2-pentynyloxy)- (9CI)
CAS No:405928-77-0
MF:C13H14N2O2
MW:230.262463092804
CID:925951
PubChem ID:12137603
Update Time:2025-04-19
Pyrimidine, 4-(2-butynyloxy)-6-(2-pentynyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine, 4-(2-butynyloxy)-6-(2-pentynyloxy)- (9CI)
- SCHEMBL5402113
- 4-(2-Butyn-1-yloxy)-6-(2-pentyn-1-yloxy)pyrimidine
- 405928-77-0
- 4-(2-butynyloxy)-6-(2-pentynyloxy)pyrimidine
- IVTYCMDWFUAYQJ-UHFFFAOYSA-N
-
- Inchi： 1S/C13H14N2O2/c1-3-5-7-9-17-13-10-12(14-11-15-13)16-8-6-4-2/h10-11H,3,8-9H2,1-2H3
- InChI Key： IVTYCMDWFUAYQJ-UHFFFAOYSA-N
- SMILES： O(CC#CCC)C1C=C(N=CN=1)OCC#CC
Computed Properties
- Exact Mass: 230.106
- Monoisotopic Mass: 230.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 341
- 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: 44.2A^2
- XLogP3: 2.5
Pyrimidine, 4-(2-butynyloxy)-6-(2-pentynyloxy)- (9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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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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