Cas no 49539-13-1 (4(3H)-Pteridinone,5,6,7,8-tetrahydro-)
49539-13-1 structure
Product Name:4(3H)-Pteridinone,5,6,7,8-tetrahydro-
CAS No:49539-13-1
MF:C6H8N4O
MW:152.153920173645
CID:325584
PubChem ID:135755335
Update Time:2025-04-19
4(3H)-Pteridinone,5,6,7,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pteridinone,5,6,7,8-tetrahydro-
- 4(1H)-Pteridinone,5,6,7,8-tetrahydro-(9CI)
- 5,6,7,8-tetrahydro-1H-pteridin-4-one
- 5,6,7,8-TETRAHYDRO-4(1H)-PTERIDINONE
- 49539-13-1
- 5,6,7,8-Tetrahydropteridin-4(1H)-one
- DTXSID60633813
- 2-desamino-tetrahydropterin
-
- Inchi： 1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h3,7H,1-2H2,(H2,8,9,10,11)
- InChI Key： YMYLCENGLBCRLP-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)NCCN2
Computed Properties
- Exact Mass: 152.06981089g/mol
- Monoisotopic Mass: 152.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 255
- 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: -0.6
- Topological Polar Surface Area: 65.5?2
4(3H)-Pteridinone,5,6,7,8-tetrahydro- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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