Cas no 2368222-05-1 (tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl-4,6-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8)
2368222-05-1 structure
Product Name:tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl-4,6-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8
CAS No:2368222-05-1
MF:C19H31BN4O4
MW:400.3464615345
CID:6823409
PubChem ID:172401141
Update Time:2025-03-01
tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl-4,6-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8 Chemical and Physical Properties
Names and Identifiers
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- CS-20291
- tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl-4,6-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8
- 2368222-05-1
-
- Inchi： 1S/C19H31BN4O4/c1-17(2,3)26-16(25)24-10-8-23(9-11-24)15-21-12-14(13-22-15)20-27-18(4,5)19(6,7)28-20/h12-13H,8-11H2,1-7H3/i8D2,9D2,10D2,11D2,12D,13D
- InChI Key： YODSUBUWTUTLAZ-ZSAGVSSNSA-N
- SMILES： O1B(C2C([2H])=NC(=NC=2[2H])N2C([2H])([2H])C([2H])([2H])N(C(=O)OC(C)(C)C)C([2H])([2H])C2([2H])[2H])OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 400.3066031Da
- Monoisotopic Mass: 400.3066031Da
- Isotope Atom Count: 10
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 549
- 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
- Topological Polar Surface Area: 77?2
tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl-4,6-d2)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8 Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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