Cas no 61755-90-6 (2,4(1H,3H)-Pyrimidinedione, dihydro-6-(hydroxymethyl)-1,3-dimethyl-)
61755-90-6 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, dihydro-6-(hydroxymethyl)-1,3-dimethyl-
CAS No:61755-90-6
MF:C7H12N2O3
MW:172.181781768799
CID:467331
PubChem ID:535783
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, dihydro-6-(hydroxymethyl)-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, dihydro-6-(hydroxymethyl)-1,3-dimethyl-
- 6-(hydroxymethyl)-1,3-dimethyl-1,3-diazinane-2,4-dione
- QQHGTSIFJPUNCZ-UHFFFAOYSA-N
- 61755-90-6
- DTXSID40336719
- 6-(Hydroxymethyl)-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione #
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- Inchi： 1S/C7H12N2O3/c1-8-5(4-10)3-6(11)9(2)7(8)12/h5,10H,3-4H2,1-2H3
- InChI Key： QQHGTSIFJPUNCZ-UHFFFAOYSA-N
- SMILES： OCC1CC(N(C)C(N1C)=O)=O
Computed Properties
- Exact Mass: 172.08486
- Monoisotopic Mass: 172.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 60.8?2
Experimental Properties
- PSA: 60.85
2,4(1H,3H)-Pyrimidinedione, dihydro-6-(hydroxymethyl)-1,3-dimethyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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