Cas no 1241897-98-2 (2-(Benzylamino)pyrimidine-5-carbonitrile)
1241897-98-2 structure
Product Name:2-(Benzylamino)pyrimidine-5-carbonitrile
CAS No:1241897-98-2
MF:C12H10N4
MW:210.23460149765
CID:2121462
Update Time:2023-08-04
2-(Benzylamino)pyrimidine-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(benzylamino)pyrimidine-5-carbonitrile
- SAANFRXQAYOMJN-UHFFFAOYSA-N
- 5-Pyrimidinecarbonitrile,2-[(phenylmethyl)amino]-
- 5-Pyrimidinecarbonitrile, 2-[(phenylmethyl)amino]-
- 2-(Benzylamino)pyrimidine-5-carbonitrile
-
- Inchi： 1S/C12H10N4/c13-6-11-8-15-12(16-9-11)14-7-10-4-2-1-3-5-10/h1-5,8-9H,7H2,(H,14,15,16)
- InChI Key： SAANFRXQAYOMJN-UHFFFAOYSA-N
- SMILES： N(C1N=CC(C#N)=CN=1)CC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 243
- Topological Polar Surface Area: 61.6
2-(Benzylamino)pyrimidine-5-carbonitrile Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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