Cas no 61241-58-5 (Pyrimidine, 2-hexadecyl-)
Pyrimidine, 2-hexadecyl- structure
Product Name:Pyrimidine, 2-hexadecyl-
CAS No:61241-58-5
MF:C20H36N2
MW:304.513245582581
CID:487326
PubChem ID:68473590
Update Time:2025-04-19
Pyrimidine, 2-hexadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-hexadecyl-
- 2-hexadecylpyrimidine
- SCHEMBL15225261
- 61241-58-5
- DTXSID20738414
-
- Inchi： 1S/C20H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-21-18-16-19-22-20/h16,18-19H,2-15,17H2,1H3
- InChI Key： GJOAJLSKTVPEKV-UHFFFAOYSA-N
- SMILES： N1C=CC=NC=1CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 304.28808
- Monoisotopic Mass: 304.287849157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 212
- 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: 8.4
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 2-hexadecyl- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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