Cas no 66373-27-1 (Ethanone, 1-(4-methyl-2-phenyl-5-pyrimidinyl)-)
66373-27-1 structure
Product Name:Ethanone, 1-(4-methyl-2-phenyl-5-pyrimidinyl)-
CAS No:66373-27-1
MF:C13H12N2O
MW:212.247182846069
CID:396402
PubChem ID:12427955
Update Time:2025-04-19
Ethanone, 1-(4-methyl-2-phenyl-5-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(4-methyl-2-phenyl-5-pyrimidinyl)-
- 1-(4-methyl-2-phenylpyrimidin-5-yl)ethanone
- AKOS012064768
- 4-methyl-2-phenyl-5-acetylpyrimidine
- 1-(4-Methyl-2-phenylpyrimidin-5-yl)ethan-1-one
- SCHEMBL16220587
- DTXSID90497809
- 66373-27-1
-
- Inchi： 1S/C13H12N2O/c1-9-12(10(2)16)8-14-13(15-9)11-6-4-3-5-7-11/h3-8H,1-2H3
- InChI Key： ILOOZGLVZSXGTQ-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CN=C(C2C=CC=CC=2)N=C1C
Computed Properties
- Exact Mass: 212.09506
- Monoisotopic Mass: 212.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 1.9
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
Ethanone, 1-(4-methyl-2-phenyl-5-pyrimidinyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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