bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride

C119H102Br6Cl5F8N20O14P — CID 158050666

About bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride

bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride (PubChem CID 158050666) has the molecular formula C119H102Br6Cl5F8N20O14P and a molecular weight of 2875.90 g/mol. Its IUPAC name is bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride.

Molecular Properties

• Compound Name: bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride
• PubChem CID: 158050666
• Molecular Formula: C119H102Br6Cl5F8N20O14P
• Molecular Weight: 2875.90 g/mol
• Exact Mass: 2866.10
• IUPAC Name: bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride
• SMILES: CN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O.Cn1cc(Br)c(=O)n(Cc2ccc(F)cc2)/c1=N/Cc1ccccc1.Cn1cc(O)c(=O)n(Cc2ccc(F)cc2)c1=O.NCc1ccccc1.O=P(Cl)(Cl)Cl.O=c1[nH]cc(Br)c(=O)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(Cl)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(Cl)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(NCc2ccccc2)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(NCc2ccccc2)n1Cc1ccc(F)cc1
• InChI: InChI=1S/C19H17BrFN3O.2C18H15BrFN3O.C12H13FN2O3.C12H11FN2O3.2C11H7BrClFN2O.C11H8BrFN2O2.C7H9N.Cl3OP/c1-23-13-17(20)18(25)24(12-15-7-9-16(21)10-8-15)19(23)22-11-14-5-3-2-4-6-14;2*19-16-11-22-18(21-10-13-4-2-1-3-5-13)23(17(16)24)12-14-6-8-15(20)9-7-14;2*1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8;2*12-9-5-15-11(13)16(10(9)17)6-7-1-3-8(14)4-2-7;12-9-5-14-11(17)15(10(9)16)6-7-1-3-8(13)4-2-7;8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2-10,13H,11-12H2,1H3;2*1-9,11H,10,12H2,(H,21,22);2-5,10,16H,6-7H2,1H3;2-5,7,16H,6H2,1H3;2*1-5H,6H2;1-5H,6H2,(H,14,17);1-5H,6,8H2;/b22-19+
• InChIKey: FJLCCHBFINPVRE-NEBVJCIKSA-N
• XLogP: 23.00
• TPSA: 425.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.90
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride?

The IUPAC name of bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride (CID 158050666) is bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride.

What is the SMILES notation for bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride?

The canonical SMILES for bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride is CN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O.Cn1cc(Br)c(=O)n(Cc2ccc(F)cc2)/c1=N/Cc1ccccc1.Cn1cc(O)c(=O)n(Cc2ccc(F)cc2)c1=O.NCc1ccccc1.O=P(Cl)(Cl)Cl.O=c1[nH]cc(Br)c(=O)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(Cl)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(Cl)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(NCc2ccccc2)n1Cc1ccc(F)cc1.O=c1c(Br)cnc(NCc2ccccc2)n1Cc1ccc(F)cc1.

What is the InChIKey of bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride?

The InChIKey is FJLCCHBFINPVRE-NEBVJCIKSA-N. The full InChI is InChI=1S/C19H17BrFN3O.2C18H15BrFN3O.C12H13FN2O3.C12H11FN2O3.2C11H7BrClFN2O.C11H8BrFN2O2.C7H9N.Cl3OP/c1-23-13-17(20)18(25)24(12-15-7-9-16(21)10-8-15)19(23)22-11-14-5-3-2-4-6-14;2*19-16-11-22-18(21-10-13-4-2-1-3-5-13)23(17(16)24)12-14-6-8-15(20)9-7-14;2*1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8;2*12-9-5-15-11(13)16(10(9)17)6-7-1-3-8(14)4-2-7;12-9-5-14-11(17)15(10(9)16)6-7-1-3-8(13)4-2-7;8-6-7-4-2-1-3-5-7;1-5(2,3)4/h2-10,13H,11-12H2,1H3;2*1-9,11H,10,12H2,(H,21,22);2-5,10,16H,6-7H2,1H3;2-5,7,16H,6H2,1H3;2*1-5H,6H2;1-5H,6H2,(H,14,17);1-5H,6,8H2;/b22-19+;;;;;;;;;.

What are the key properties of bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride?

bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride has a molecular weight of 2875.90 g/mol, XLogP of 23.00, 25 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(benzylamino)-5-bromo-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);2-benzylimino-5-bromo-3-[(4-fluorophenyl)methyl]-1-methylpyrimidin-4-one;bis(5-bromo-2-chloro-3-[(4-fluorophenyl)methyl]pyrimidin-4-one);5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione;3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methylpyrimidine-2,4-dione;phenylmethanamine;phosphoryl trichloride is sourced from PubChem (CID 158050666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).