Cas no 24867-27-4 (2,4-Pyrimidinediamine, 6-(4-morpholinyl)-)
24867-27-4 structure
Product Name:2,4-Pyrimidinediamine, 6-(4-morpholinyl)-
CAS No:24867-27-4
MF:C8H13N5O
MW:195.221720457077
CID:1419864
PubChem ID:13249216
Update Time:2025-04-20
2,4-Pyrimidinediamine, 6-(4-morpholinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine, 6-(4-morpholinyl)-
- pyrimidine, 2,4-diamino-6-morpholino-
- 2,4-diamino-6-morpholinopyrimidine
- 4-Morpholinopyrimidine-2,6-diamine
- DTXSID90901451
- NoName_569
- 24867-27-4
- AKOS017457902
- SCHEMBL3231344
-
- Inchi： 1S/C8H13N5O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
- InChI Key： DFSFIKNJVGWSMU-UHFFFAOYSA-N
- SMILES： O1CCN(C2C=C(N)N=C(N)N=2)CC1
Computed Properties
- Exact Mass: 195.11219
- Monoisotopic Mass: 195.11201006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 185
- 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: -0.4
- Topological Polar Surface Area: 90.3?2
Experimental Properties
- PSA: 90.29
2,4-Pyrimidinediamine, 6-(4-morpholinyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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