4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride

C70H59Cl9F5N12O11P — CID 157193781

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride

4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride (PubChem CID 157193781) has the molecular formula C70H59Cl9F5N12O11P and a molecular weight of 1689.36 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride.

Molecular Properties

• Compound Name: 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride
• PubChem CID: 157193781
• Molecular Formula: C70H59Cl9F5N12O11P
• Molecular Weight: 1689.36 g/mol
• Exact Mass: 1684.13
• IUPAC Name: 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride
• SMILES: CCO.COC(=O)C1COCC1=O.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Cc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)COC2.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1COC2.[H]/N=C(\N)c1cc(Cl)ccc1F
• InChI: InChI=1S/C18H14ClFN4O.C13H10ClFN2O.C12H7Cl2FN2O.C12H8ClFN2O2.C7H6ClFN2.C6H8O4.C2H6O.Cl3OP/c1-10-7-21-5-4-15(10)22-18-13-8-25-9-16(13)23-17(24-18)12-6-11(19)2-3-14(12)20;1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15;13-6-1-2-9(15)7(3-6)12-16-10-5-18-4-8(10)11(14)17-12;13-6-1-2-9(14)7(3-6)11-15-10-5-18-4-8(10)12(17)16-11;8-4-1-2-6(9)5(3-4)7(10)11;1-9-6(8)4-2-10-3-5(4)7;1-2-3;1-5(2,3)4/h2-7H,8-9H2,1H3,(H,21,22,23,24);2-4H,5-6H2,1H3;1-3H,4-5H2;1-3H,4-5H2,(H,15,16,17);1-3H,(H3,10,11);4H,2-3H2,1H3;3H,2H2,1H3
• InChIKey: APZSQWNBJGRXGH-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 324.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.36
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride?

The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride (CID 157193781) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride.

What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride?

The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride is CCO.COC(=O)C1COCC1=O.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Cc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)COC2.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1COC2.[H]/N=C(\N)c1cc(Cl)ccc1F.

What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride?

The InChIKey is APZSQWNBJGRXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O.C13H10ClFN2O.C12H7Cl2FN2O.C12H8ClFN2O2.C7H6ClFN2.C6H8O4.C2H6O.Cl3OP/c1-10-7-21-5-4-15(10)22-18-13-8-25-9-16(13)23-17(24-18)12-6-11(19)2-3-14(12)20;1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15;13-6-1-2-9(15)7(3-6)12-16-10-5-18-4-8(10)11(14)17-12;13-6-1-2-9(14)7(3-6)11-15-10-5-18-4-8(10)12(17)16-11;8-4-1-2-6(9)5(3-4)7(10)11;1-9-6(8)4-2-10-3-5(4)7;1-2-3;1-5(2,3)4/h2-7H,8-9H2,1H3,(H,21,22,23,24);2-4H,5-6H2,1H3;1-3H,4-5H2;1-3H,4-5H2,(H,15,16,17);1-3H,(H3,10,11);4H,2-3H2,1H3;3H,2H2,1H3;.

What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride?

4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride has a molecular weight of 1689.36 g/mol, XLogP of 17.51, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine;5-chloro-2-fluorobenzenecarboximidamide;2-(5-chloro-2-fluorophenyl)-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethanol;methyl 4-oxooxolane-3-carboxylate;phosphoryl trichloride is sourced from PubChem (CID 157193781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).