Cas no 394204-91-2 (2,2'-Bipyrimidine, 4,6-dichloro-5-(4-methylphenyl)-)
394204-91-2 structure
Product Name:2,2'-Bipyrimidine, 4,6-dichloro-5-(4-methylphenyl)-
CAS No:394204-91-2
MF:C15H10Cl2N4
MW:317.172700405121
CID:291998
PubChem ID:22312870
Update Time:2025-04-19
2,2'-Bipyrimidine, 4,6-dichloro-5-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,2'-Bipyrimidine, 4,6-dichloro-5-(4-methylphenyl)-
- 4,6-dichloro-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine
- SCHEMBL5761205
- DTXSID50624639
- 4,6-Dichloro-5-(4-methylphenyl)-2,2'-bipyrimidine
- AKOS017984590
- 394204-91-2
-
- Inchi： 1S/C15H10Cl2N4/c1-9-3-5-10(6-4-9)11-12(16)20-15(21-13(11)17)14-18-7-2-8-19-14/h2-8H,1H3
- InChI Key： NXAZDHPTLBQEAY-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(C2N=CC=CN=2)N=1)Cl)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 316.0285
- Monoisotopic Mass: 316.0282517g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 318
- 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: 4.1
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 51.56
2,2'-Bipyrimidine, 4,6-dichloro-5-(4-methylphenyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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