Cas no 74602-59-8 (4(3H)-Pyrimidinone,2-amino-5-bromo-6-(3-fluorophenyl)-)
74602-59-8 structure
Product Name:4(3H)-Pyrimidinone,2-amino-5-bromo-6-(3-fluorophenyl)-
CAS No:74602-59-8
MF:C10H7BrFN3O
MW:284.08448433876
CID:563939
PubChem ID:135407143
Update Time:2025-04-19
4(3H)-Pyrimidinone,2-amino-5-bromo-6-(3-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,2-amino-5-bromo-6-(3-fluorophenyl)-
- 2-amino-5-bromo-6-(3-fluorophenyl)-1H-pyrimidin-4-one
- 2-amino-5-bromo-6-(3-fluorophenyl)-4(3H)pyrimidinone
- 2-Amino-5-bromo-6-(3-fluorophenyl)-4(1H)-pyrimidinone
- 4(1H)-pyrimidinone, 2-amino-5-bromo-6-(3-fluorophenyl)-
- SCHEMBL8995826
- DTXSID10225580
- CHEMBL296806
- LOQWIXAMWLMCQY-UHFFFAOYSA-N
- Pyrimidin-4(3H)-one, 2-amino-5-bromo-6-(3-fluorophenyl)-
- 2-amino-5-bromo-4-(3-fluorophenyl)-1H-pyrimidin-6-one
- Abmfpp
- 2-Amino-5-bromo-6-(3-fluorophenyl)-4(3H)-pyrimidinone #
- 2-Amino-5-bromo-6-(3-fluorophenyl)-4(3H)-pyrimidinone
- 74602-59-8
- SCHEMBL7776236
- 2-Amino-5-bromo-6-(3-fluorophenyl)pyrimidin-4(3H)-one
-
- Inchi： 1S/C10H7BrFN3O/c11-7-8(14-10(13)15-9(7)16)5-2-1-3-6(12)4-5/h1-4H,(H3,13,14,15,16)
- InChI Key： LOQWIXAMWLMCQY-UHFFFAOYSA-N
- SMILES： BrC1C(NC(N)=NC=1C1C=CC=C(C=1)F)=O
Computed Properties
- Exact Mass: 282.97571
- Monoisotopic Mass: 282.97565g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 380
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: 1.3
- Topological Polar Surface Area: 67.5?2
Experimental Properties
- Density: 1.82
- Boiling Point: 394°C at 760 mmHg
- Flash Point: 192.1°C
- Refractive Index: 1.695
- PSA: 67.48
4(3H)-Pyrimidinone,2-amino-5-bromo-6-(3-fluorophenyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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