Cas no 856595-47-6 (4,6-Pyrimidinediamine,2-methoxy-)
856595-47-6 structure
Product Name:4,6-Pyrimidinediamine,2-methoxy-
CAS No:856595-47-6
MF:C5H8N4O
MW:140.143219947815
CID:717563
Update Time:2024-01-31
4,6-Pyrimidinediamine,2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Pyrimidinediamine,2-methoxy-
- 2-methoxypyrimidine-4,6-diamine
- 4,6-Pyrimidinediamine,2-methoxy-(9CI)
- 4,6-Pyrimidinediamine, 2-methoxy-
-
- Inchi： 1S/C5H8N4O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H4,6,7,8,9)
- InChI Key： UWLSQWAECHMLDC-UHFFFAOYSA-N
- SMILES： C1(OC)=NC(N)=CC(N)=N1
Computed Properties
- Exact Mass: 140.07
- Monoisotopic Mass: 140.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 99.8
- 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: 87A^2
Experimental Properties
- Density: 1.341±0.06 g/cm3(Predicted)
- Boiling Point: 402.0±48.0 °C(Predicted)
- pka: 5.39±0.10(Predicted)
4,6-Pyrimidinediamine,2-methoxy- Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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