Cas no 72790-10-4 (2-Pyrimidinecarboxylicacid, 5-pentyl-)
72790-10-4 structure
Product Name:2-Pyrimidinecarboxylicacid, 5-pentyl-
CAS No:72790-10-4
MF:C10H14N2O2
MW:194.230362415314
CID:550550
PubChem ID:13660585
Update Time:2025-04-19
2-Pyrimidinecarboxylicacid, 5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarboxylicacid, 5-pentyl-
- 5-Pentylpyrimidine-2-carboxylicacid
- 2-Pyrimidinecarboxylic acid, 5-pentyl- (9CI)
- DTXSID60546055
- SCHEMBL10335865
- 5-PENTYLPYRIMIDINE-2-CARBOXYLIC ACID
- 72790-10-4
-
- Inchi： 1S/C10H14N2O2/c1-2-3-4-5-8-6-11-9(10(13)14)12-7-8/h6-7H,2-5H2,1H3,(H,13,14)
- InChI Key： PCNWRNZRSGAERK-UHFFFAOYSA-N
- SMILES： OC(C1=NC=C(C=N1)CCCCC)=O
Computed Properties
- Exact Mass: 194.10562
- Monoisotopic Mass: 194.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 177
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.5
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- PSA: 63.08
2-Pyrimidinecarboxylicacid, 5-pentyl- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
72790-10-4 (2-Pyrimidinecarboxylicacid, 5-pentyl-) Related Products
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