Cas no 1828-67-7 (1-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-1-methylurea)
1828-67-7 structure
Product Name:1-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-1-methylurea
CAS No:1828-67-7
MF:C6H10ClN5O3
MW:235.628299236298
CID:907081
PubChem ID:24195757
Update Time:2025-04-19
1-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-1-methylurea Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-1-methylurea
- 1-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-1-methylurea,hydrochloride
- NSC-196549
- 1828-67-7
- 1-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-1-methyl-urea
- DS-007941
- NSC196549
- N-(2-Amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-methylurea--hydrogen chloride (1/1)
- DTXSID70638718
-
- Inchi： 1S/C6H9N5O3.ClH/c1-11(6(8)14)2-3(12)9-5(7)10-4(2)13;/h1H3,(H2,8,14)(H4,7,9,10,12,13);1H
- InChI Key： QQBCNVOOJALKLX-UHFFFAOYSA-N
- SMILES： Cl.OC1=C(C(NC(N)=N1)=O)N(C(N)=O)C
Computed Properties
- Exact Mass: 199.07067
- Monoisotopic Mass: 235.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 359
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 134A^2
Experimental Properties
- Density: 1.88
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.772
- PSA: 134.04
1-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-1-methylurea Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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