Cas no 39640-65-8 (3-Piperidinol, 1-(6-amino-1,2-dihydro-1-hydroxy-2-imino-4-pyrimidinyl)-)
39640-65-8 structure
Product Name:3-Piperidinol, 1-(6-amino-1,2-dihydro-1-hydroxy-2-imino-4-pyrimidinyl)-
CAS No:39640-65-8
MF:C9H15N5O2
MW:225.247700929642
CID:1510301
PubChem ID:21490217
Update Time:2025-04-21
3-Piperidinol, 1-(6-amino-1,2-dihydro-1-hydroxy-2-imino-4-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Piperidinol, 1-(6-amino-1,2-dihydro-1-hydroxy-2-imino-4-pyrimidinyl)-
- 1-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperidin-3-ol
- SCHEMBL11878591
- 6-Amino-4-(3-hydroxypiperidin-1-yl)-2-iminopyrimidin-1(2H)-ol
- 39640-65-8
- DTXSID80614760
-
- Inchi： 1S/C9H15N5O2/c10-7-4-8(12-9(11)14(7)16)13-3-1-2-6(15)5-13/h4,6,11,15-16H,1-3,5,10H2
- InChI Key： YGWWDTYPNFVUEQ-UHFFFAOYSA-N
- SMILES： OC1CN(C2C=C(N)N(C(=N)N=2)O)CCC1
Computed Properties
- Exact Mass: 225.12275
- Monoisotopic Mass: 225.12257474g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 365
- 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: 0.3
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 109.17
3-Piperidinol, 1-(6-amino-1,2-dihydro-1-hydroxy-2-imino-4-pyrimidinyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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