Cas no 142886-74-6 (2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide)
142886-74-6 structure
Product Name:2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide
CAS No:142886-74-6
MF:C9H14FN5O
MW:227.238764286041
CID:1312426
PubChem ID:11564847
Update Time:2025-04-20
2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide
- 5-fluoro-3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
- 5fluoro-6-piperidinyl-2,4-pyrimidinediamine 3-oxide
- SCHEMBL9402027
- DTXSID90468675
- 142886-74-6
- YOYCDMAKXSAFOU-UHFFFAOYSA-N
-
- Inchi： 1S/C9H14FN5O/c10-6-7(11)15(16)9(12)13-8(6)14-4-2-1-3-5-14/h12,16H,1-5,11H2
- InChI Key： LZSSWAQLUHBGPN-UHFFFAOYSA-N
- SMILES： FC1=C(N)N(C(=N)N=C1N1CCCCC1)O
Computed Properties
- Exact Mass: 227.11842
- Monoisotopic Mass: 227.11823825g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 372
- 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: 88.9?2
Experimental Properties
- PSA: 95.11
2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
142886-74-6 (2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide) Related Products
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