Cas no 64171-59-1 (2(1H)-Pyrimidinone, 5-pentyl-)
2(1H)-Pyrimidinone, 5-pentyl- structure
Product Name:2(1H)-Pyrimidinone, 5-pentyl-
CAS No:64171-59-1
MF:C9H14N2O
MW:166.220262050629
CID:1671162
PubChem ID:12356154
Update Time:2025-04-21
2(1H)-Pyrimidinone, 5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinone, 5-pentyl-
- 5-Pentyl-2(1H)-pyrimidinone
- DTXSID801310854
- ZZBXRDLMKHGLAP-UHFFFAOYSA-N
- 64171-59-1
- 2-hydroxy-5-pentylpyrimidine
- SCHEMBL7910575
-
- Inchi： 1S/C9H14N2O/c1-2-3-4-5-8-6-10-9(12)11-7-8/h6-7H,2-5H2,1H3,(H,10,11,12)
- InChI Key： ZZBXRDLMKHGLAP-UHFFFAOYSA-N
- SMILES： O=C1N=CC(=CN1)CCCCC
Computed Properties
- Exact Mass: 166.11072
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- 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: 1.7
- Topological Polar Surface Area: 41.5?2
Experimental Properties
- PSA: 41.46
2(1H)-Pyrimidinone, 5-pentyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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