Cas no 7464-89-3 (1,3,6,8-tetramethyl-1,6-dihydropyrimido[4,5-g]pteridine-2,4,7,9(3H,8H)-tetrone)
7464-89-3 structure
Product Name:1,3,6,8-tetramethyl-1,6-dihydropyrimido[4,5-g]pteridine-2,4,7,9(3H,8H)-tetrone
CAS No:7464-89-3
MF:C12H12N6O4
MW:304.261481285095
CID:979644
PubChem ID:343642
Update Time:2025-04-19
1,3,6,8-tetramethyl-1,6-dihydropyrimido[4,5-g]pteridine-2,4,7,9(3H,8H)-tetrone Chemical and Physical Properties
Names and Identifiers
-
- 1,3,6,8-tetramethyl-1,6-dihydropyrimido[4,5-g]pteridine-2,4,7,9(3H,8H)-tetrone
- 1,3,5,7-tetramethyl-2,4,6,8(1H,3H,5H,7H)-pyrimido[4,5-g]pteridinetetrone
- SCHEMBL26312966
- DTXSID50321934
- NSC-400048
- 7464-89-3
- NSC400048
-
- Inchi: 1S/C12H12N6O4/c1-15-7-5(9(19)17(3)11(15)21)14-8-6(13-7)10(20)18(4)12(22)16(8)2/h1-4H3
- InChI Key: VTERGIPPMDSMSR-UHFFFAOYSA-N
- SMILES: O=C1C2C(=NC3C(N(C)C(N(C)C=3N=2)=O)=O)N(C)C(N1C)=O
Computed Properties
- Exact Mass: 304.09216
- Monoisotopic Mass: 304.09200289g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 530
- 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: -1.1
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.02
1,3,6,8-tetramethyl-1,6-dihydropyrimido[4,5-g]pteridine-2,4,7,9(3H,8H)-tetrone Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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