Cas no 30188-97-7 (4(3H)-Pyrimidinone,2,6-diamino-5-[2-(2,3-dimethylphenyl)diazenyl]-)
![4(3H)-Pyrimidinone,2,6-diamino-5-[2-(2,3-dimethylphenyl)diazenyl]- structure](https://ossimg.kuujia.com/scimg/30500/30188-97-7x500.png)
30188-97-7 structure
Product Name:4(3H)-Pyrimidinone,2,6-diamino-5-[2-(2,3-dimethylphenyl)diazenyl]-
CAS No:30188-97-7
MF:C12H14N6O
MW:258.27916097641
CID:310894
PubChem ID:135458644
Update Time:2025-04-19
4(3H)-Pyrimidinone,2,6-diamino-5-[2-(2,3-dimethylphenyl)diazenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,2,6-diamino-5-[2-(2,3-dimethylphenyl)diazenyl]-
- (5E)-2,6-diamino-5-[(2,3-dimethylphenyl)hydrazinylidene]pyrimidin-4-one
- 2,6-diamino-pyrimidin-4,5-dione 5-[(2,3-dimethyl-phenyl)-hydrazone]
- NSC134811
- DTXSID40422343
- NSC-134811
- 30188-97-7
-
- Inchi： 1S/C12H14N6O/c1-6-4-3-5-8(7(6)2)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+
- InChI Key： AWDPWZCNZHKSKV-ISLYRVAYSA-N
- SMILES： O=C1C(=C(N)N=C(N)N1)/N=N/C1=CC=CC(C)=C1C
Computed Properties
- Exact Mass: 258.12312
- Monoisotopic Mass: 258.123
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 467
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 118A^2
- XLogP3: 0.9
Experimental Properties
- Density: 1.46
- Boiling Point: 443.1°Cat760mmHg
- Flash Point: 221.8°C
- Refractive Index: 1.712
- PSA: 118.22
- LogP: 3.12890
4(3H)-Pyrimidinone,2,6-diamino-5-[2-(2,3-dimethylphenyl)diazenyl]- Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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