Cas no 3120-51-2 (4(1H)-Pyrimidinone,6-amino-1,3-diethyl-2,3-dihydro-2-thioxo-)
3120-51-2 structure
Product Name:4(1H)-Pyrimidinone,6-amino-1,3-diethyl-2,3-dihydro-2-thioxo-
CAS No:3120-51-2
MF:C8H13N3OS
MW:199.273319959641
CID:314487
PubChem ID:250727
Update Time:2025-04-19
4(1H)-Pyrimidinone,6-amino-1,3-diethyl-2,3-dihydro-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,6-amino-1,3-diethyl-2,3-dihydro-2-thioxo-
- 6-amino-1,3-diethyl-2-sulfanylidenepyrimidin-4-one
- 1,3-Diaethyl-6-amino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-on
- 1,3-diethyl-6-amino-2-thiouracil
- 1,3-diethyl-6-amino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
- 6-amino-1,3-diethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
- 6-amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
- AC1L5IAQ
- AC1Q7EZM
- AG-K-83761
- AR-1H0796
- CTK4G6551
- NSC70472
- 6-amino-1,3-diethyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
- NSC-70472
- DTXSID90290711
- 3120-51-2
- SCHEMBL3239713
-
- Inchi： 1S/C8H13N3OS/c1-3-10-6(9)5-7(12)11(4-2)8(10)13/h5H,3-4,9H2,1-2H3
- InChI Key： AZYPFBHBVLBWIA-UHFFFAOYSA-N
- SMILES： S=C1N(C(C=C(N)N1CC)=O)CC
Computed Properties
- Exact Mass: 199.07809
- Monoisotopic Mass: 199.07793322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 275
- 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: 0.3
- Topological Polar Surface Area: 81.7?2
Experimental Properties
- PSA: 49.57
- LogP: 1.58250
4(1H)-Pyrimidinone,6-amino-1,3-diethyl-2,3-dihydro-2-thioxo- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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