Cas no 50345-29-4 (4,6-Pyrimidinedimethanol (9CI))
50345-29-4 structure
Product Name:4,6-Pyrimidinedimethanol (9CI)
CAS No:50345-29-4
MF:C6H8N2O2
MW:140.139921188354
CID:1020982
PubChem ID:20557595
Update Time:2025-04-20
4,6-Pyrimidinedimethanol (9CI) Chemical and Physical Properties
Names and Identifiers
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- 4,6-Pyrimidinedimethanol (9CI)
- [6-(hydroxymethyl)pyrimidin-4-yl]methanol
- pyrimidine-4,6-diyldimethanol
- DB-262759
- DTXSID60608667
- 4,6-PYRIMIDINEDIMETHANOL
- SCHEMBL11326441
- (Pyrimidine-4,6-diyl)dimethanol
- 50345-29-4
-
- Inchi： 1S/C6H8N2O2/c9-2-5-1-6(3-10)8-4-7-5/h1,4,9-10H,2-3H2
- InChI Key： XRDABWBYKZICRF-UHFFFAOYSA-N
- SMILES： OCC1C=C(CO)N=CN=1
Computed Properties
- Exact Mass: 140.058577502g/mol
- Monoisotopic Mass: 140.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 89.7
- 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: -1.5
- Topological Polar Surface Area: 66.2?2
4,6-Pyrimidinedimethanol (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
50345-29-4 (4,6-Pyrimidinedimethanol (9CI)) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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