Cas no 253315-62-7 (5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, ethyl ester)
253315-62-7 structure
Product Name:5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, ethyl ester
CAS No:253315-62-7
MF:C11H15N3O2
MW:221.255702257156
CID:1421967
PubChem ID:24903658
Update Time:2025-04-20
5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, ethyl ester
- SCHEMBL6984326
- DB-086576
- 253315-62-7
-
- Inchi： 1S/C11H15N3O2/c1-2-16-10(15)9-7-12-11(13-8-9)14-5-3-4-6-14/h7-8H,2-6H2,1H3
- InChI Key： MLWXNRIYJDBACI-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NC(=NC=1)N1CCCC1)=O
Computed Properties
- Exact Mass: 257.09328
- Monoisotopic Mass: 221.116426730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 233
- 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: 55.3?2
Experimental Properties
- PSA: 55.32
5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, ethyl ester Related Literature
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
253315-62-7 (5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, ethyl ester) Related Products
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