Cas no 130339-63-8 (6H-Purin-6-one,1,5-dihydro-2-methyl-)
130339-63-8 structure
Product Name:6H-Purin-6-one,1,5-dihydro-2-methyl-
CAS No:130339-63-8
MF:C6H6N4O
MW:150.138040065765
CID:102679
PubChem ID:136931191
Update Time:2025-04-18
6H-Purin-6-one,1,5-dihydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1,5-dihydro-2-methyl-
- 6H-Purin-6-one, 1,5-dihydro-2-methyl- (9CI)
- 2-methyl-5,6-dihydro-1H-purin-6-one
- 130339-63-8
- DTXSID601293618
- 2-methyl-1H-purin-6(5H)-one
- 1,5-Dihydro-2-methyl-6H-purin-6-one
- 6H-PURIN-6-ONE, 1,5-DIHYDRO-2-METHYL-
- DB-284280
-
- Inchi： 1S/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2,4H,1H3,(H,7,8,9,10,11)
- InChI Key： MYVBYZUGVOEZTB-UHFFFAOYSA-N
- SMILES： O=C1C2C(=NC=N2)N=C(C)N1
Computed Properties
- Exact Mass: 150.05428
- Monoisotopic Mass: 150.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 302
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 66.2A^2
Experimental Properties
- PSA: 66.18
6H-Purin-6-one,1,5-dihydro-2-methyl- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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