2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

C73H44Cl6F8N8O12 — CID 162033317

IUPAC2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2c(F)cccc2Cl)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2cc(Cl)ccc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2cc(F)ccc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccc(F)cc2C(F)(F)F)o1
InChIInChI=1S/C19H11ClF4N2O3.2C18H11Cl2FN2O3.C18H11ClF2N2O3/c1-8-2-5-12(28-8)15-14-16(26-18(20)25-15)13(29-17(14)27)6-9-3-4-10(21)7-11(9)19(22,23)24;1-8-2-5-12(25-8)15-14-16(23-18(20)22-15)13(26-17(14)24)7-9-6-10(19)3-4-11(9)21;1-8-5-6-12(25-8)15-14-16(23-18(20)22-15)13(26-17(14)24)7-9-10(19)3-2-4-11(9)21;1-8-2-5-12(25-8)15-14-16(23-18(19)22-15)13(26-17(14)24)7-9-6-10(20)3-4-11(9)21/h2-5,7,13H,6H2,1H3;3*2-6,13H,7H2,1H3
InChIKeyYWHZYTQDFKFHCB-UHFFFAOYSA-N
MW1589.90 g/mol
LogP19.63
Rot. Bonds12

About 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 162033317) has the molecular formula C73H44Cl6F8N8O12 and a molecular weight of 1589.90 g/mol. Its IUPAC name is 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID162033317
Molecular FormulaC73H44Cl6F8N8O12
Molecular Weight1589.90 g/mol
Exact Mass1586.11
IUPAC Name2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2c(F)cccc2Cl)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2cc(Cl)ccc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2cc(F)ccc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccc(F)cc2C(F)(F)F)o1
InChIInChI=1S/C19H11ClF4N2O3.2C18H11Cl2FN2O3.C18H11ClF2N2O3/c1-8-2-5-12(28-8)15-14-16(26-18(20)25-15)13(29-17(14)27)6-9-3-4-10(21)7-11(9)19(22,23)24;1-8-2-5-12(25-8)15-14-16(23-18(20)22-15)13(26-17(14)24)7-9-6-10(19)3-4-11(9)21;1-8-5-6-12(25-8)15-14-16(23-18(20)22-15)13(26-17(14)24)7-9-10(19)3-2-4-11(9)21;1-8-2-5-12(25-8)15-14-16(23-18(19)22-15)13(26-17(14)24)7-9-6-10(20)3-4-11(9)21/h2-5,7,13H,6H2,1H3;3*2-6,13H,7H2,1H3
InChIKeyYWHZYTQDFKFHCB-UHFFFAOYSA-N
XLogP19.63
TPSA260.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.90
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one with MolForge

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Related Compounds

7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one
CID 146364733
7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146364776
2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146364777
2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146364798
7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one
CID 146364851
7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one
CID 146364862
7-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146364880
7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one
CID 153449449
2-amino-4-(5-bromofuran-2-yl)-7-[(2,4-difluorophenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
CID 157115579
2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-7-[(3,5-dimethylphenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
CID 157454659
lithium;7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(furan-2-yl)-2-methoxy-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;methane;phosphoryl trichloride;iodide
CID 157936134
lithium;2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;1-(bromomethyl)-2-(trifluoromethyl)benzene;2-chloro-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;ethyl 4-formyl-6-(furan-2-yl)-2-methoxypyrimidine-5-carboxylate;4-(furan-2-yl)-2-methoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one;4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione;methane;phosphoryl trichloride;iodide
CID 158470878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 162033317) is 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2c(F)cccc2Cl)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2cc(Cl)ccc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2cc(F)ccc2F)o1.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3Cc2ccc(F)cc2C(F)(F)F)o1.
What is the InChIKey of 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is YWHZYTQDFKFHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N2O3.2C18H11Cl2FN2O3.C18H11ClF2N2O3/c1-8-2-5-12(28-8)15-14-16(26-18(20)25-15)13(29-17(14)27)6-9-3-4-10(21)7-11(9)19(22,23)24;1-8-2-5-12(25-8)15-14-16(23-18(20)22-15)13(26-17(14)24)7-9-6-10(19)3-4-11(9)21;1-8-5-6-12(25-8)15-14-16(23-18(20)22-15)13(26-17(14)24)7-9-10(19)3-2-4-11(9)21;1-8-2-5-12(25-8)15-14-16(23-18(19)22-15)13(26-17(14)24)7-9-6-10(20)3-4-11(9)21/h2-5,7,13H,6H2,1H3;3*2-6,13H,7H2,1H3.
What are the key properties of 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 1589.90 g/mol, XLogP of 19.63, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(5-chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[(2,5-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one;2-chloro-7-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 162033317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).