Cas no 64994-47-4 (4(3H)-Pyrimidinone,6-amino-2-(hydroxymethyl)-)
64994-47-4 structure
Product Name:4(3H)-Pyrimidinone,6-amino-2-(hydroxymethyl)-
CAS No:64994-47-4
MF:C5H7N3O2
MW:141.127980470657
CID:501319
PubChem ID:136209049
Update Time:2025-04-19
4(3H)-Pyrimidinone,6-amino-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,6-amino-2-(hydroxymethyl)-
- 4(1H)-Pyrimidinone, 6-amino-2-(hydroxymethyl)- (9CI)
- 2-Pyrimidinemethanol, 4-amino-6-hydroxy- (7CI)
- 2-Pyrimidinemethanol,6-amino-4-hydroxy- (7CI)
- 6-Amino-2-(hydroxymethyl)pyrimidin-4(1H)-one
- 64994-47-4
- 4(1H)-Pyrimidinone,6-amino-2-(hydroxymethyl)-(9ci)
- AKOS006348896
-
- Inchi： 1S/C5H7N3O2/c6-3-1-5(10)8-4(2-9)7-3/h1,9H,2H2,(H3,6,7,8,10)
- InChI Key： XIJVRNUPXOYUQH-UHFFFAOYSA-N
- SMILES： OCC1=NC(=CC(N1)=O)N
Computed Properties
- Exact Mass: 141.05391
- Monoisotopic Mass: 141.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 87.7?2
Experimental Properties
- PSA: 87.71
4(3H)-Pyrimidinone,6-amino-2-(hydroxymethyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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