Cas no 5417-15-2 (Urea,N-(5-aminohexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)-)
5417-15-2 structure
Product Name:Urea,N-(5-aminohexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)-
CAS No:5417-15-2
MF:C6H11N5O3
MW:201.183240175247
CID:380823
PubChem ID:222081
Update Time:2025-04-19
Urea,N-(5-aminohexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-(5-aminohexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)-
- (5-amino-1-methyl-2,6-dioxo-1,3-diazinan-4-yl)urea
- 1-(5-amino-1-methyl-2,6-dioxohexahydropyrimidin-4-yl)urea
- AC1L5B9M
- AC1Q6GN6
- AR-1B2366
- CTK4J9882
- KST-1B6384
- NSC7373
- NSC-7373
- DTXSID60278440
- 5417-15-2
-
- Inchi： 1S/C6H11N5O3/c1-11-4(12)2(7)3(9-5(8)13)10-6(11)14/h2-3H,7H2,1H3,(H,10,14)(H3,8,9,13)
- InChI Key： GGXFINIFKHGCGJ-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N)=O)NC(N1C)=O)N
Computed Properties
- Exact Mass: 201.08600
- Monoisotopic Mass: 201.08618923g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 291
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.9
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 130.55000
- LogP: -0.45210
Urea,N-(5-aminohexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)- Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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