Cas no 3346-78-9 (Butyl 2,4-dioxo-1h-pyrimidine-5-carboxylate)
3346-78-9 structure
Product Name:Butyl 2,4-dioxo-1h-pyrimidine-5-carboxylate
CAS No:3346-78-9
MF:C9H12N2O4
MW:212.202582359314
CID:917990
PubChem ID:234582
Update Time:2025-04-19
Butyl 2,4-dioxo-1h-pyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Butyl 2,4-dioxo-1h-pyrimidine-5-carboxylate
- 2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester
- 5-butoxycarbonyluracil
- 5-Butoxycarbonyl-uracil
- 5-Butyloxycarbonyl-2.4-dioxo-1.2.3.4-tetrahydro-pyrimidin
- AC1L5SJB
- AR-1I1140
- butyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- CTK1C2447
- n-butyl 1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylate
- NSC34717
- Uracilcarbonsaeure-(5)-butylester
- 3346-78-9
- DTXSID10283988
- NSC-34717
- SCHEMBL11239608
-
- Inchi： 1S/C9H12N2O4/c1-2-3-4-15-8(13)6-5-10-9(14)11-7(6)12/h5H,2-4H2,1H3,(H2,10,11,12,14)
- InChI Key： ZDLHWPASWYGIFB-UHFFFAOYSA-N
- SMILES： O(C(C1=CNC(NC1=O)=O)=O)CCCC
Computed Properties
- Exact Mass: 212.07976
- Monoisotopic Mass: 212.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 322
- 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: 0.3
- Topological Polar Surface Area: 84.5?2
Experimental Properties
- PSA: 84.5
- LogP: 0.02010
Butyl 2,4-dioxo-1h-pyrimidine-5-carboxylate Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
3346-78-9 (Butyl 2,4-dioxo-1h-pyrimidine-5-carboxylate) Related Products
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