Cas no 888491-20-1 (4-(Benzylamino)-2-(methylthio)pyrimidine-5-carbaldehyde)
888491-20-1 structure
Product Name:4-(Benzylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
CAS No:888491-20-1
MF:C13H13N3OS
MW:259.326821088791
CID:2130098
Update Time:2023-08-04
4-(Benzylamino)-2-(methylthio)pyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-(benzylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
- 4-(benzylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
- 2-(Methylthio)-4-(benzylamino)pyrimidine-5-carbaldehyde
- 4-benzylamino-2-methylthio-5-pyrimidinecarboxaldehyde, AldrichCPR
- 4-(Benzylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
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- Inchi： 1S/C13H13N3OS/c1-18-13-15-8-11(9-17)12(16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)
- InChI Key： FPTLSRSXQNYWNS-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=C(C=O)C(=N1)NCC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 259
- Topological Polar Surface Area: 80.2
4-(Benzylamino)-2-(methylthio)pyrimidine-5-carbaldehyde Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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