Cas no 87846-99-9 (5-Pyrimidinecarboxylic acid, 2,4,6-tris(dimethylamino)-, methyl ester)
87846-99-9 structure
Product Name:5-Pyrimidinecarboxylic acid, 2,4,6-tris(dimethylamino)-, methyl ester
CAS No:87846-99-9
MF:C12H21N5O2
MW:267.327441930771
CID:651637
PubChem ID:13264426
Update Time:2025-04-19
5-Pyrimidinecarboxylic acid, 2,4,6-tris(dimethylamino)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 2,4,6-tris(dimethylamino)-, methyl ester
- methyl 2,4,6-tris(dimethylamino)pyrimidine-5-carboxylate
- 87846-99-9
- DTXSID50532982
-
- Inchi： 1S/C12H21N5O2/c1-15(2)9-8(11(18)19-7)10(16(3)4)14-12(13-9)17(5)6/h1-7H3
- InChI Key： GDIAIJUXYRKTPN-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(N=C(N=C1N(C)C)N(C)C)N(C)C)=O
Computed Properties
- Exact Mass: 267.16952493g/mol
- Monoisotopic Mass: 267.16952493g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 291
- 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: 1.4
- Topological Polar Surface Area: 61.8?2
5-Pyrimidinecarboxylic acid, 2,4,6-tris(dimethylamino)-, methyl ester Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
87846-99-9 (5-Pyrimidinecarboxylic acid, 2,4,6-tris(dimethylamino)-, methyl ester) Related Products
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