Cas no 62899-08-5 (pyrimidine, 2,4-dipropoxy- (9ci))
62899-08-5 structure
Product Name:pyrimidine, 2,4-dipropoxy- (9ci)
CAS No:62899-08-5
MF:C10H16N2O2
MW:196.246242523193
CID:958238
PubChem ID:12357925
Update Time:2025-04-19
pyrimidine, 2,4-dipropoxy- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- pyrimidine, 2,4-dipropoxy- (9ci)
- Pyrimidine,2,4-dipropoxy-(9ci)
- SCHEMBL4264852
- 62899-08-5
- 2,4-Dipropoxypyrimidine
-
- Inchi： 1S/C10H16N2O2/c1-3-7-13-9-5-6-11-10(12-9)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3
- InChI Key： LJODWHMHKHLDLM-UHFFFAOYSA-N
- SMILES： O(C1C=CN=C(N=1)OCCC)CCC
Computed Properties
- Exact Mass: 196.12100
- Monoisotopic Mass: 196.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 144
- 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: 2.6
- Topological Polar Surface Area: 44.2?2
Experimental Properties
- PSA: 44.24000
- LogP: 2.05420
pyrimidine, 2,4-dipropoxy- (9ci) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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