Cas no 123549-60-0 (4,6-Pyrimidinediamine,2-ethenyl-)
123549-60-0 structure
Product Name:4,6-Pyrimidinediamine,2-ethenyl-
CAS No:123549-60-0
MF:C6H8N4
MW:136.15452003479
CID:104077
PubChem ID:45080182
Update Time:2025-04-18
4,6-Pyrimidinediamine,2-ethenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Pyrimidinediamine,2-ethenyl-
- 2-ethenylpyrimidine-4,6-diamine
- 4,6-Pyrimidinediamine, 2-ethenyl- (9CI)
- 123549-60-0
- 2-Vinylpyrimidine-4,6-diamine
- SCHEMBL5586153
-
- Inchi： 1S/C6H8N4/c1-2-6-9-4(7)3-5(8)10-6/h2-3H,1H2,(H4,7,8,9,10)
- InChI Key： NHHDBYGXPJPFEX-UHFFFAOYSA-N
- SMILES： N1C(C=C)=NC(=CC=1N)N
Computed Properties
- Exact Mass: 136.07504
- Monoisotopic Mass: 136.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 115
- 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: 77.8A^2
- XLogP3: 0.3
Experimental Properties
- PSA: 77.82
4,6-Pyrimidinediamine,2-ethenyl- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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