Cas no 578713-39-0 (5-PYRIMIDINAMINE, 4,6-DIMETHOXY-2-PHENOXY-)
578713-39-0 structure
Product Name:5-PYRIMIDINAMINE, 4,6-DIMETHOXY-2-PHENOXY-
CAS No:578713-39-0
MF:C12H13N3O3
MW:247.249922513962
CID:3323086
PubChem ID:20745771
Update Time:2025-04-21
5-PYRIMIDINAMINE, 4,6-DIMETHOXY-2-PHENOXY- Chemical and Physical Properties
Names and Identifiers
-
- 5-PYRIMIDINAMINE, 4,6-DIMETHOXY-2-PHENOXY-
- SCHEMBL5764707
- 578713-39-0
- 5-pyrimidinamine,4,6-dimethoxy-2-phenoxy-
-
- Inchi： 1S/C12H13N3O3/c1-16-10-9(13)11(17-2)15-12(14-10)18-8-6-4-3-5-7-8/h3-7H,13H2,1-2H3
- InChI Key： FTBBXGPYCNJURK-UHFFFAOYSA-N
- SMILES： C1(OC2=CC=CC=C2)=NC(OC)=C(N)C(OC)=N1
Computed Properties
- Exact Mass: 247.09569129Da
- Monoisotopic Mass: 247.09569129Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 235
- 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: 2
- Topological Polar Surface Area: 79.5?2
5-PYRIMIDINAMINE, 4,6-DIMETHOXY-2-PHENOXY- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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