Cas no 1187168-54-2 (4-(methoxybenzyl)-5-pyrimidyl ketone)
1187168-54-2 structure
Product Name:4-(methoxybenzyl)-5-pyrimidyl ketone
CAS No:1187168-54-2
MF:C12H10N2O2
MW:214.220002651215
CID:2893412
PubChem ID:49762286
Update Time:2025-04-21
4-(methoxybenzyl)-5-pyrimidyl ketone Chemical and Physical Properties
Names and Identifiers
-
- 4-(methoxybenzyl)-5-pyrimidyl ketone
- DTXSID101277582
- SCHEMBL12700455
- AKOS011779959
- (4-Methoxyphenyl)-5-pyrimidinylmethanone
- 1187168-54-2
- Methanone, (4-methoxyphenyl)-5-pyrimidinyl-
-
- Inchi： 1S/C12H10N2O2/c1-16-11-4-2-9(3-5-11)12(15)10-6-13-8-14-7-10/h2-8H,1H3
- InChI Key： UAPHGWVJYUDYHS-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)C(C1=CN=CN=C1)=O
Computed Properties
- Exact Mass: 214.07400
- Monoisotopic Mass: 214.074227566Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 231
- 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: 1.5
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08000
- LogP: 1.71620
4-(methoxybenzyl)-5-pyrimidyl ketone Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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