Cas no 3059-67-4 (N-methylpyrimidine-4,5-diamine)
3059-67-4 structure
Product Name:N-methylpyrimidine-4,5-diamine
N-methylpyrimidine-4,5-diamine Chemical and Physical Properties
Names and Identifiers
-
- N-methylpyrimidine-4,5-diamine
- (4-aminopyrimidin-5-yl)-methyl-amine
- 4,5-Pyrimidinediamine, N5-methyl- (9CI)
- 5-N-methylpyrimidine-4,5-diamine
- N5-Methyl-pyrimidin-4,5-diyldiamin
- N5-methylpyrimidine-4,5-diamine
- N5-methyl-pyrimidine-4,5-diamine
- N5-methyl-pyrimidine-4,5-diyldiamine
- AKOS006338525
- 6-Imino-N-methyl-1,6-dihydropyrimidin-5-amine
- 3059-67-4
- DTXSID40952872
- NSC-99399
- NSC99399
- SCHEMBL1745024
-
- Inchi: 1S/C5H8N4/c1-7-4-2-8-3-9-5(4)6/h2-3,7H,1H3,(H2,6,8,9)
- InChI Key: XVKFIARTOSQEIY-UHFFFAOYSA-N
- SMILES: N(C)C1=CN=CN=C1N
Computed Properties
- Exact Mass: 124.07504
- Monoisotopic Mass: 124.074896272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 85
- 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: 63.8?2
Experimental Properties
- PSA: 63.83
- LogP: 0.75470
N-methylpyrimidine-4,5-diamine Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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