Cas no 5733-55-1 (Thieno[3,4-d]pyrimidine-2,4-diamine,5,7-dihydro-N2,N2,7-trimethyl-N4-(1-methylethyl)-)
![Thieno[3,4-d]pyrimidine-2,4-diamine,5,7-dihydro-N2,N2,7-trimethyl-N4-(1-methylethyl)- structure](https://ossimg.kuujia.com/scimg/6000/5733-55-1x500.png)
5733-55-1 structure
Product Name:Thieno[3,4-d]pyrimidine-2,4-diamine,5,7-dihydro-N2,N2,7-trimethyl-N4-(1-methylethyl)-
CAS No:5733-55-1
MF:C21H19FN2O3S
MW:398.450567483902
CID:386240
PubChem ID:1109477
Update Time:2025-04-19
Thieno[3,4-d]pyrimidine-2,4-diamine,5,7-dihydro-N2,N2,7-trimethyl-N4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thieno[3,4-d]pyrimidine-2,4-diamine,5,7-dihydro-N2,N2,7-trimethyl-N4-(1-methylethyl)-
- acetamide, 2-[[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino]-N-phenyl-
- 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-phenylacetamide
- 5733-55-1
- AKOS000387120
- Oprea1_614365
- DTXSID40360413
- N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(4-methylphenyl)-N~1~-phenylglycinamide
- Oprea1_451757
-
- Inchi： 1S/C21H19FN2O3S/c1-16-7-11-19(12-8-16)24(15-21(25)23-18-5-3-2-4-6-18)28(26,27)20-13-9-17(22)10-14-20/h2-14H,15H2,1H3,(H,23,25)
- InChI Key： ZZEWEXFLUHCJMF-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)F)(N(C1C=CC(C)=CC=1)CC(NC1C=CC=CC=1)=O)(=O)=O
Computed Properties
- Exact Mass: 398.11017
- Monoisotopic Mass: 398.110041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 600
- 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: 74.9
- Surface Charge: 0
- XLogP3: 4
Experimental Properties
- Density: 1.35
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.642
- PSA: 66.48
- LogP: 4
Thieno[3,4-d]pyrimidine-2,4-diamine,5,7-dihydro-N2,N2,7-trimethyl-N4-(1-methylethyl)- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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