Cas no 18588-48-2 (2,4-Pyrimidinediamine,5-methoxy-)
18588-48-2 structure
Product Name:2,4-Pyrimidinediamine,5-methoxy-
CAS No:18588-48-2
MF:C5H8N4O
MW:140.143219947815
CID:123064
PubChem ID:23423591
Update Time:2025-04-18
2,4-Pyrimidinediamine,5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,5-methoxy-
- Pyrimidine, 2,4-diamino-5-methoxy- (8CI)
- SCHEMBL3417149
- 18588-48-2
- 5-methoxypyrimidine-2,4-diamine
- AKOS006341103
-
- Inchi： 1S/C5H8N4O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3,(H4,6,7,8,9)
- InChI Key： POKOCGWGFMPTIL-UHFFFAOYSA-N
- SMILES： O(C)C1=CN=C(N)N=C1N
Computed Properties
- Exact Mass: 140.06981089g/mol
- Monoisotopic Mass: 140.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- 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: -0.5
- Topological Polar Surface Area: 87?2
2,4-Pyrimidinediamine,5-methoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
18588-48-2 (2,4-Pyrimidinediamine,5-methoxy-) Related Products
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