dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one

C36H30Cl2F2N8O6 — CID 158921157

IUPACdichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
SMILESClCCl.Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O.Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C21H17FN4O3.C14H11FN4O3.CH2Cl2/c1-26-13-23-18(19(21(26)27)28-12-15-5-3-2-4-6-15)20-25-24-17(29-20)11-14-7-9-16(22)10-8-14;1-19-7-16-11(12(20)14(19)21)13-18-17-10(22-13)6-8-2-4-9(15)5-3-8;2-1-3/h2-10,13H,11-12H2,1H3;2-5,7,20H,6H2,1H3;1H2
InChIKeyJHVTZGZHNPNEQH-UHFFFAOYSA-N
MW779.59 g/mol
LogP5.83
Rot. Bonds9

About dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one

dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one (PubChem CID 158921157) has the molecular formula C36H30Cl2F2N8O6 and a molecular weight of 779.59 g/mol. Its IUPAC name is dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Namedichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
PubChem CID158921157
Molecular FormulaC36H30Cl2F2N8O6
Molecular Weight779.59 g/mol
Exact Mass778.16
IUPAC Namedichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
SMILESClCCl.Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O.Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C21H17FN4O3.C14H11FN4O3.CH2Cl2/c1-26-13-23-18(19(21(26)27)28-12-15-5-3-2-4-6-15)20-25-24-17(29-20)11-14-7-9-16(22)10-8-14;1-19-7-16-11(12(20)14(19)21)13-18-17-10(22-13)6-8-2-4-9(15)5-3-8;2-1-3/h2-10,13H,11-12H2,1H3;2-5,7,20H,6H2,1H3;1H2
InChIKeyJHVTZGZHNPNEQH-UHFFFAOYSA-N
XLogP5.83
TPSA177.08 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
The IUPAC name of dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one (CID 158921157) is dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
The canonical SMILES for dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one is ClCCl.Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O.Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O.
What is the InChIKey of dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
The InChIKey is JHVTZGZHNPNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3.C14H11FN4O3.CH2Cl2/c1-26-13-23-18(19(21(26)27)28-12-15-5-3-2-4-6-15)20-25-24-17(29-20)11-14-7-9-16(22)10-8-14;1-19-7-16-11(12(20)14(19)21)13-18-17-10(22-13)6-8-2-4-9(15)5-3-8;2-1-3/h2-10,13H,11-12H2,1H3;2-5,7,20H,6H2,1H3;1H2.
What are the key properties of dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one has a molecular weight of 779.59 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 158921157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).