4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride

C68H58Cl9F5IN12O10P — CID 159092210

IUPAC4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride
SMILESCCOC(=O)C1OCCC1=O.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)CCO2.Fc1ccc(Cl)cc1-c1nc(I)c2c(n1)CCO2.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1OCC2.[H]/N=C(\N)C1CC(Cl)CCC1F
InChIInChI=1S/C18H14ClFN4O.C12H7Cl2FN2O.C12H7ClFIN2O.C12H8ClFN2O2.C7H12ClFN2.C7H10O4.Cl3OP/c1-10-9-21-6-4-14(10)22-18-16-15(5-7-25-16)23-17(24-18)12-8-11(19)2-3-13(12)20;13-6-1-2-8(15)7(5-6)12-16-9-3-4-18-10(9)11(14)17-12;13-6-1-2-8(14)7(5-6)12-16-9-3-4-18-10(9)11(15)17-12;13-6-1-2-8(14)7(5-6)11-15-9-3-4-18-10(9)12(17)16-11;8-4-1-2-6(9)5(3-4)7(10)11;1-2-10-7(9)6-5(8)3-4-11-6;1-5(2,3)4/h2-4,6,8-9H,5,7H2,1H3,(H,21,22,23,24);2*1-2,5H,3-4H2;1-2,5H,3-4H2,(H,15,16,17);4-6H,1-3H2,(H3,10,11);6H,2-4H2,1H3;
InChIKeyKCFARAQBEIDILI-UHFFFAOYSA-N
MW1775.23 g/mol
LogP17.87
Rot. Bonds9

About 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride

4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride (PubChem CID 159092210) has the molecular formula C68H58Cl9F5IN12O10P and a molecular weight of 1775.23 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride
PubChem CID159092210
Molecular FormulaC68H58Cl9F5IN12O10P
Molecular Weight1775.23 g/mol
Exact Mass1770.03
IUPAC Name4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride
SMILESCCOC(=O)C1OCCC1=O.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)CCO2.Fc1ccc(Cl)cc1-c1nc(I)c2c(n1)CCO2.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1OCC2.[H]/N=C(\N)C1CC(Cl)CCC1F
InChIInChI=1S/C18H14ClFN4O.C12H7Cl2FN2O.C12H7ClFIN2O.C12H8ClFN2O2.C7H12ClFN2.C7H10O4.Cl3OP/c1-10-9-21-6-4-14(10)22-18-16-15(5-7-25-16)23-17(24-18)12-8-11(19)2-3-13(12)20;13-6-1-2-8(15)7(5-6)12-16-9-3-4-18-10(9)11(14)17-12;13-6-1-2-8(14)7(5-6)12-16-9-3-4-18-10(9)11(15)17-12;13-6-1-2-8(14)7(5-6)11-15-9-3-4-18-10(9)12(17)16-11;8-4-1-2-6(9)5(3-4)7(10)11;1-2-10-7(9)6-5(8)3-4-11-6;1-5(2,3)4/h2-4,6,8-9H,5,7H2,1H3,(H,21,22,23,24);2*1-2,5H,3-4H2;1-2,5H,3-4H2,(H,15,16,17);4-6H,1-3H2,(H3,10,11);6H,2-4H2,1H3;
InChIKeyKCFARAQBEIDILI-UHFFFAOYSA-N
XLogP17.87
TPSA304.47 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001775.23
LogP ≤ 517.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride?
The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride (CID 159092210) is 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride?
The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride is CCOC(=O)C1OCCC1=O.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1OCC2.Fc1ccc(Cl)cc1-c1nc(Cl)c2c(n1)CCO2.Fc1ccc(Cl)cc1-c1nc(I)c2c(n1)CCO2.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1OCC2.[H]/N=C(\N)C1CC(Cl)CCC1F.
What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride?
The InChIKey is KCFARAQBEIDILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O.C12H7Cl2FN2O.C12H7ClFIN2O.C12H8ClFN2O2.C7H12ClFN2.C7H10O4.Cl3OP/c1-10-9-21-6-4-14(10)22-18-16-15(5-7-25-16)23-17(24-18)12-8-11(19)2-3-13(12)20;13-6-1-2-8(15)7(5-6)12-16-9-3-4-18-10(9)11(14)17-12;13-6-1-2-8(14)7(5-6)12-16-9-3-4-18-10(9)11(15)17-12;13-6-1-2-8(14)7(5-6)11-15-9-3-4-18-10(9)12(17)16-11;8-4-1-2-6(9)5(3-4)7(10)11;1-2-10-7(9)6-5(8)3-4-11-6;1-5(2,3)4/h2-4,6,8-9H,5,7H2,1H3,(H,21,22,23,24);2*1-2,5H,3-4H2;1-2,5H,3-4H2,(H,15,16,17);4-6H,1-3H2,(H3,10,11);6H,2-4H2,1H3;.
What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride?
4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride has a molecular weight of 1775.23 g/mol, XLogP of 17.87, 9 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydrofuro[3,2-d]pyrimidine;5-chloro-2-fluorocyclohexane-1-carboximidamide;2-(5-chloro-2-fluorophenyl)-6,7-dihydro-3H-furo[3,2-d]pyrimidin-4-one;2-(5-chloro-2-fluorophenyl)-4-iodo-6,7-dihydrofuro[3,2-d]pyrimidine;2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;ethyl 3-oxooxolane-2-carboxylate;phosphoryl trichloride is sourced from PubChem (CID 159092210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).