Cas no 476340-29-1 (2-((4-(Methylamino)pyrimidin-2-yl)amino)ethanol)
476340-29-1 structure
Product Name:2-((4-(Methylamino)pyrimidin-2-yl)amino)ethanol
CAS No:476340-29-1
MF:C7H12N4O
MW:168.196380615234
CID:931146
PubChem ID:45076025
Update Time:2025-04-19
2-((4-(Methylamino)pyrimidin-2-yl)amino)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 2-((4-(Methylamino)pyrimidin-2-yl)amino)ethanol
- 476340-29-1
- ETHANOL, 2-[[4-(METHYLAMINO)-2-PYRIMIDINYL]AMINO]-
- DB-275815
-
- Inchi： 1S/C7H12N4O/c1-8-6-2-3-9-7(11-6)10-4-5-12/h2-3,12H,4-5H2,1H3,(H2,8,9,10,11)
- InChI Key： DHYURAGJDUVKKT-UHFFFAOYSA-N
- SMILES： OCCNC1N=CC=C(NC)N=1
Computed Properties
- Exact Mass: 168.10111102g/mol
- Monoisotopic Mass: 168.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 122
- 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: 0.2
- Topological Polar Surface Area: 70.1?2
2-((4-(Methylamino)pyrimidin-2-yl)amino)ethanol Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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