Cas no 109138-03-6 (4-Pyrimidinecarboxaldehyde,2,6-diamino-)
109138-03-6 structure
Product Name:4-Pyrimidinecarboxaldehyde,2,6-diamino-
CAS No:109138-03-6
MF:C5H6N4O
MW:138.127339839935
CID:128301
PubChem ID:45080197
Update Time:2025-04-18
4-Pyrimidinecarboxaldehyde,2,6-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxaldehyde,2,6-diamino-
- 4-Pyrimidinecarboxaldehyde, 2,6-diamino- (9CI)
- 2,6-Diaminopyrimidine-4-carbaldehyde
- 109138-03-6
-
- Inchi： 1S/C5H6N4O/c6-4-1-3(2-10)8-5(7)9-4/h1-2H,(H4,6,7,8,9)
- InChI Key： NWKNBOINCZEWER-UHFFFAOYSA-N
- SMILES： O=CC1=CC(N)=NC(N)=N1
Computed Properties
- Exact Mass: 138.05428
- Monoisotopic Mass: 138.05416083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 129
- 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: -0.7
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 94.89
4-Pyrimidinecarboxaldehyde,2,6-diamino- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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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
109138-03-6 (4-Pyrimidinecarboxaldehyde,2,6-diamino-) Related Products
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