Cas no 52379-69-8 (N,N,6-trimethyl-5-nitropyrimidine-2,4-diamine)
52379-69-8 structure
Product Name:N,N,6-trimethyl-5-nitropyrimidine-2,4-diamine
CAS No:52379-69-8
MF:C7H11N5O2
MW:197.194540262222
CID:936796
PubChem ID:229274
Update Time:2025-04-19
N,N,6-trimethyl-5-nitropyrimidine-2,4-diamine Chemical and Physical Properties
Names and Identifiers
-
- N,N,6-trimethyl-5-nitropyrimidine-2,4-diamine
- NSC22756
- 6-Imino-N,N,4-trimethyl-5-nitro-1,6-dihydropyrimidin-2-amine
- NSC-22756
- 6-amino-2-dimethylamino-4-methyl-5-nitropyrimidine
- 52379-69-8
- DTXSID50966788
-
- Inchi： 1S/C7H11N5O2/c1-4-5(12(13)14)6(8)10-7(9-4)11(2)3/h1-3H3,(H2,8,9,10)
- InChI Key： JPLNFCLKFSYJBX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(N)=NC(=NC=1C)N(C)C)=O
Computed Properties
- Exact Mass: 197.09100
- Monoisotopic Mass: 197.09127461g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 1.1
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 100.86000
- LogP: 1.44580
N,N,6-trimethyl-5-nitropyrimidine-2,4-diamine Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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