Cas no 192631-47-3 (4(3H)-Pyrimidinone,2-ethyl-5-methyl-)
192631-47-3 structure
Product Name:4(3H)-Pyrimidinone,2-ethyl-5-methyl-
CAS No:192631-47-3
MF:C7H10N2O
MW:138.167101383209
CID:116200
PubChem ID:18360616
Update Time:2025-04-18
4(3H)-Pyrimidinone,2-ethyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,2-ethyl-5-methyl-
- 2-ethyl-5-methylpyrimidin-4(3H)-one
- 2-Ethyl-5-methyl-pyrimidin-4-ol
- 4(1H)-Pyrimidinone, 2-ethyl-5-methyl- (9CI)
- 2-Ethyl-5-methylpyrimidin-4(1H)-one
- 2-ethyl-5-methyl-1H-pyrimidin-6-one
- SCHEMBL23987019
- 192631-47-3
- FT-0712718
- SCHEMBL7606690
- DA-08726
-
- Inchi： 1S/C7H10N2O/c1-3-6-8-4-5(2)7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
- InChI Key： VPLWQGMFSSWEIA-UHFFFAOYSA-N
- SMILES： O=C1C(C)=CN=C(CC)N1
Computed Properties
- Exact Mass: 138.0794
- Monoisotopic Mass: 138.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 216
- 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: 41.5A^2
- XLogP3: 0.1
Experimental Properties
- PSA: 41.46
4(3H)-Pyrimidinone,2-ethyl-5-methyl- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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