Cas no 100950-23-0 (4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]-)
100950-23-0 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]-
CAS No:100950-23-0
MF:C15H19N3O2
MW:273.330263376236
CID:142335
PubChem ID:135406002
Update Time:2025-04-19
4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]-
- 2-(benzylamino)-5,5-diethyl-1H-pyrimidine-4,6-dione
- 2-(Benzylimino)-5,5-diethyldihydropyrimidine-4,6(1H,5H)-dione
- 4,6(1H,5H)-Pyrimidinedione, 5,5-diethyldihydro-2-[(phenylmethyl)imino]-
- BRN 5575381
- 2-(Benzylimino)-5,5-diethyldihydro-4,6(1H,5H)-pyrimidinedione
- DTXSID90143591
- 5,5-Diethyl-2-((phenylmethyl)amino)-4,6(1H,5H)-pyrimidinedione
- 100950-23-0
- CBDivE_001413
- 4,6(1H,5H)-Pyrimidinedione, 5,5-diethyl-2-((phenylmethyl)amino)-
- Barbituric acid, 5,5-diethyl-2-benzylimino-
- 5,5-Diethyl-2-benzyliminobarbituric acid
-
- Inchi: 1S/C15H19N3O2/c1-3-15(4-2)12(19)17-14(18-13(15)20)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,16,17,18,19,20)
- InChI Key: TVALHCOEXGZJKN-UHFFFAOYSA-N
- SMILES: O=C1C(C(N/C(=N/CC2C=CC=CC=2)/N1)=O)(CC)CC
Computed Properties
- Exact Mass: 273.14787
- Monoisotopic Mass: 273.147727
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 407
- 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: 70.6
- XLogP3: 2.4
Experimental Properties
- Density: 1.19
- Refractive Index: 1.591
- PSA: 70.56
- LogP: 1.75030
4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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