Cas no 62671-93-6 (5-Pyrimidinemethanol, 4-amino-2-butyl-)
62671-93-6 structure
Product Name:5-Pyrimidinemethanol, 4-amino-2-butyl-
CAS No:62671-93-6
MF:C9H15N3O
MW:181.234901666641
CID:390595
PubChem ID:71373808
Update Time:2025-04-19
5-Pyrimidinemethanol, 4-amino-2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinemethanol, 4-amino-2-butyl-
- (4-amino-2-butylpyrimidin-5-yl)methanol
- DTXSID60796619
- 62671-93-6
-
- Inchi： 1S/C9H15N3O/c1-2-3-4-8-11-5-7(6-13)9(10)12-8/h5,13H,2-4,6H2,1H3,(H2,10,11,12)
- InChI Key： ODDAVEPYBFFIJB-UHFFFAOYSA-N
- SMILES： OCC1C=NC(CCCC)=NC=1N
Computed Properties
- Exact Mass: 181.121512110g/mol
- Monoisotopic Mass: 181.121512110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 143
- 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: 1.3
- Topological Polar Surface Area: 72?2
5-Pyrimidinemethanol, 4-amino-2-butyl- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
62671-93-6 (5-Pyrimidinemethanol, 4-amino-2-butyl-) Related Products
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