Cas no 13428-61-0 (2-Pyrimidinamine,4,5,6-trimethoxy-)
13428-61-0 structure
Product Name:2-Pyrimidinamine,4,5,6-trimethoxy-
CAS No:13428-61-0
MF:C7H11N3O3
MW:185.180541276932
CID:119571
PubChem ID:76851347
Update Time:2025-04-18
2-Pyrimidinamine,4,5,6-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine,4,5,6-trimethoxy-
- Pyrimidine, 2-amino-4,5,6-trimethoxy- (6CI,8CI)
- 4,5,6-Trimethoxypyrimidin-2-amine
- 13428-61-0
-
- Inchi： 1S/C7H11N3O3/c1-11-4-5(12-2)9-7(8)10-6(4)13-3/h1-3H3,(H2,8,9,10)
- InChI Key： CVVDMAZLUHAOIC-UHFFFAOYSA-N
- SMILES： O(C)C1=C(N=C(N)N=C1OC)OC
Computed Properties
- Exact Mass: 185.08013
- Monoisotopic Mass: 185.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 144
- 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: 79.5A^2
- XLogP3: 0.4
Experimental Properties
- PSA: 79.49
2-Pyrimidinamine,4,5,6-trimethoxy- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
13428-61-0 (2-Pyrimidinamine,4,5,6-trimethoxy-) Related Products
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