Cas no 103980-59-2 (4(3H)-Pyrimidinone,5-butyl-)
4(3H)-Pyrimidinone,5-butyl- structure
Product Name:4(3H)-Pyrimidinone,5-butyl-
CAS No:103980-59-2
MF:C8H12N2O
MW:152.193681716919
CID:212867
PubChem ID:3025547
Update Time:2025-04-19
4(3H)-Pyrimidinone,5-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,5-butyl-
- 4(1H)-Pyrimidinone,5-butyl- (9CI)
- 5-butyl-1H-pyrimidin-6-one
- 103980-59-2
- SCHEMBL16274632
- 5-n-butyl-4-hydroxypyrimidine
- XDCIBZVFAIWWIE-UHFFFAOYSA-N
- 5-Butyl-4-pyrimidinol
- 4-Pyrimidinol, 5-butyl-
- DTXSID60146190
-
- Inchi： 1S/C8H12N2O/c1-2-3-4-7-5-9-6-10-8(7)11/h5-6H,2-4H2,1H3,(H,9,10,11)
- InChI Key： XDCIBZVFAIWWIE-UHFFFAOYSA-N
- SMILES： O=C1C(=CN=CN1)CCCC
Computed Properties
- Exact Mass: 152.09506
- Monoisotopic Mass: 152.094963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 206
- 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: 41.5
- XLogP3: 1.2
Experimental Properties
- Density: 1.09
- Boiling Point: 266.7°Cat760mmHg
- Flash Point: 115.1°C
- Refractive Index: 1.542
- PSA: 41.46
- LogP: 1.52480
4(3H)-Pyrimidinone,5-butyl- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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