Cas no 119018-17-6 (4(3H)-Pteridinone,5,8-dihydro-)
119018-17-6 structure
Product Name:4(3H)-Pteridinone,5,8-dihydro-
CAS No:119018-17-6
MF:C6H6N4O
MW:150.138040065765
CID:133008
PubChem ID:137121602
Update Time:2025-04-19
4(3H)-Pteridinone,5,8-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pteridinone,5,8-dihydro-
- 4(1H)-Pteridinone, 5,8-dihydro- (9CI)
- 4(1H)-Pteridinone,5,8-dihydro-(9ci)
- 119018-17-6
-
- Inchi： 1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3,7H,(H2,8,9,10,11)
- InChI Key： RTXWGTSLXWVUFM-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)NC=CN2
Computed Properties
- Exact Mass: 149.04645
- Monoisotopic Mass: 150.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 289
- 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: 65.5A^2
- XLogP3: -0.4
Experimental Properties
- PSA: 66.91
4(3H)-Pteridinone,5,8-dihydro- Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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