Cas no 1005-25-0 (Methanediol,1-(2-methyl-4-pyrimidinyl)-)
1005-25-0 structure
Product Name:Methanediol,1-(2-methyl-4-pyrimidinyl)-
CAS No:1005-25-0
MF:C6H8N2O2
MW:140.139921188354
CID:117343
PubChem ID:45080529
Update Time:2025-04-18
Methanediol,1-(2-methyl-4-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanediol,1-(2-methyl-4-pyrimidinyl)-
- (2-methylpyrimidin-4-yl)methanediol
- 4-Pyrimidinemethanediol, 2-methyl- (7CI,8CI)
- DTXSID401285748
- 1-(2-Methyl-4-pyrimidinyl)methanediol
- 1005-25-0
- 4-pyrimidinemethanediol,2-methyl-
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- Inchi： 1S/C6H8N2O2/c1-4-7-3-2-5(8-4)6(9)10/h2-3,6,9-10H,1H3
- InChI Key： NGDVGANODBPOPQ-UHFFFAOYSA-N
- SMILES： OC(C1C=CN=C(C)N=1)O
Computed Properties
- Exact Mass: 140.05864
- Monoisotopic Mass: 140.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- 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: 66.2A^2
- XLogP3: -0.8
Experimental Properties
- PSA: 66.24
- LogP: -0.23180
Methanediol,1-(2-methyl-4-pyrimidinyl)- Related Literature
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1. The chemistry of polynuclear compounds. Part 28. The question of isomerism in tridecacarbonyldihydrido- and dodecacarbonyltetrahydrido-tetrarutheniumColin R. Eady,Brian F. G. Johnson,Jack Lewis J. Chem. Soc. Dalton Trans. 1977 477
1005-25-0 (Methanediol,1-(2-methyl-4-pyrimidinyl)-) Related Products
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