Cas no 21263-85-4 (4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo-)
![4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo- structure](https://ossimg.kuujia.com/scimg/21500/21263-85-4x500.png)
21263-85-4 structure
Product Name:4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo-
CAS No:21263-85-4
MF:C6H9N3OS
MW:171.220159292221
CID:1399914
PubChem ID:5373490
Update Time:2025-04-20
4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo-
- 5-(methylaminomethyl)-2-sulfanylidene-1H-pyrimidin-4-one
- 5-methylaminomethyl-2-thiouracil
- DTXSID40418721
- SCHEMBL153562
- 5-((Methylamino)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- 1,3-Diaza-5,6-dedihydrocyclohexan-4-one-2-thione-5-methamine, N-methyl-
- 21263-85-4
- 5-[(Methylamino)methyl]-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone #
- HFTVVHMKHFDYBV-UHFFFAOYSA-N
- AC1NT09P
-
- Inchi： 1S/C6H9N3OS/c1-7-2-4-3-8-6(11)9-5(4)10/h3,7H,2H2,1H3,(H2,8,9,10,11)
- InChI Key： HFTVVHMKHFDYBV-UHFFFAOYSA-N
- SMILES： S=C1NC=C(C(N1)=O)CNC
Computed Properties
- Exact Mass: 171.04677
- Monoisotopic Mass: 171.04663309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 224
- 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: -1.1
- Topological Polar Surface Area: 85.2?2
Experimental Properties
- PSA: 53.16
4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-2-thioxo- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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