Cas no 102739-40-2 (5-Pyrimidinecarboxylicacid, 2-(cyanoamino)-4-methyl-, ethyl ester)
102739-40-2 structure
Product Name:5-Pyrimidinecarboxylicacid, 2-(cyanoamino)-4-methyl-, ethyl ester
CAS No:102739-40-2
MF:C9H10N4O2
MW:206.20130109787
CID:125225
PubChem ID:13608521
Update Time:2025-04-18
5-Pyrimidinecarboxylicacid, 2-(cyanoamino)-4-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 2-(cyanoamino)-4-methyl-, ethyl ester
- 5-Pyrimidinecarboxylicacid,2-(cyanoamino)-4-methyl-,ethylester(9CI)
- ethyl 2-(cyanoamino)-4-methylpyrimidine-5-carboxylate
- Ethyl 2-cyanamido-4-methylpyrimidine-5-carboxylate
- 5-pyrimidinecarboxylic acid,2-(cyanoamino)-4-methyl-,ethyl ester
- Ethyl2-cyanamido-4-methylpyrimidine-5-carboxylate
- 102739-40-2
-
- Inchi： 1S/C9H10N4O2/c1-3-15-8(14)7-4-11-9(12-5-10)13-6(7)2/h4H,3H2,1-2H3,(H,11,12,13)
- InChI Key： GMWDRXRILWFPOZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN=C(NC#N)N=C1C)=O
Computed Properties
- Exact Mass: 206.0805
- Monoisotopic Mass: 206.08037557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 273
- 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: 1.2
- Topological Polar Surface Area: 87.9?2
Experimental Properties
- PSA: 87.9
- LogP: 0.92768
5-Pyrimidinecarboxylicacid, 2-(cyanoamino)-4-methyl-, ethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
102739-40-2 (5-Pyrimidinecarboxylicacid, 2-(cyanoamino)-4-methyl-, ethyl ester) Related Products
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- 40929-50-8(Ethyl 5-pyrimidinecarboxylate)
- 1721-13-7(ethyl 2,6-dimethylpyridine-3-carboxylate)
- 74356-36-8(2,4-Dimethylpyrimidine-5-carboxylic acid)
- 157335-92-7(4-Methylpyrimidine-5-carboxylic acid)
- 157335-94-9(methyl 4-methylpyrimidine-5-carboxylate)
- 110960-73-1(Ethyl 4-methylpyrimidine-5-carboxylate)
- 2199-51-1(Ethyl 2,4-Dimethylpyrrole-3-carboxylate)
- 641569-97-3(Ethyl 4-Methyl-3-4-(3-pyridinyl)-2-pyrimidinylaminobenzoate)
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