Cas no 7150-30-3 (2-chloropyrimidine-4,6-dicarboxamide)
7150-30-3 structure
Product Name:2-chloropyrimidine-4,6-dicarboxamide
CAS No:7150-30-3
MF:C6H5ClN4O2
MW:200.582499265671
CID:1750424
PubChem ID:250943
Update Time:2025-04-21
2-chloropyrimidine-4,6-dicarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 2-chloropyrimidine-4,6-dicarboxamide
- AC1Q5FWW
- AR-1E0775
- 2-Chloro-4,6-dicarbamoylpyrimidin
- MLS000736778
- HMS2885J17
- NSC70959
- AC1L5IQZ
- CTK5D4420
- 2-chloro-pyrimidine-4,6-dicarboxylic acid diamide
- AC1Q5FWW; AR-1E0775; 2-Chloro-4,6-dicarbamoylpyrimidin; MLS000736778; HMS2885J17; NSC70959; AC1L5IQZ; CTK5D4420; 2-chloro-pyrimidine-4,6-dicarboxylic acid diamide;
- NSC-70959
- DTXSID40290766
- CHEMBL1445172
- SMR000528322
- 7150-30-3
- SCHEMBL14358700
-
- Inchi： 1S/C6H5ClN4O2/c7-6-10-2(4(8)12)1-3(11-6)5(9)13/h1H,(H2,8,12)(H2,9,13)
- InChI Key： ZYWSYFLWTQEGRJ-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(N)=O)=CC(C(N)=O)=N1
Computed Properties
- Exact Mass: 200.01025
- Monoisotopic Mass: 200.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 112?2
Experimental Properties
- Density: 1.601
- Boiling Point: 592.4°C at 760 mmHg
- Flash Point: 312.1°C
- Refractive Index: 1.641
- PSA: 111.96
- LogP: 0.72840
2-chloropyrimidine-4,6-dicarboxamide Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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