N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide

C20H24FN5O5 — CID 54712015

IUPACN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide
SMILESCN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C20H24FN5O5/c1-20(2,24-16(29)18(31)25(3)4)19-23-13(14(27)17(30)26(19)5)15(28)22-10-11-6-8-12(21)9-7-11/h6-9,27H,10H2,1-5H3,(H,22,28)(H,24,29)
InChIKeyWGLILLWPZIBWTQ-UHFFFAOYSA-N
MW433.44 g/mol
LogP-0.01
Rot. Bonds5

About N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide

N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide (PubChem CID 54712015) has the molecular formula C20H24FN5O5 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide
PubChem CID54712015
Molecular FormulaC20H24FN5O5
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC NameN-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide
SMILESCN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
InChIInChI=1S/C20H24FN5O5/c1-20(2,24-16(29)18(31)25(3)4)19-23-13(14(27)17(30)26(19)5)15(28)22-10-11-6-8-12(21)9-7-11/h6-9,27H,10H2,1-5H3,(H,22,28)(H,24,29)
InChIKeyWGLILLWPZIBWTQ-UHFFFAOYSA-N
XLogP-0.01
TPSA133.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
The IUPAC name of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide (CID 54712015) is N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide is CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C.
What is the InChIKey of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
The InChIKey is WGLILLWPZIBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O5/c1-20(2,24-16(29)18(31)25(3)4)19-23-13(14(27)17(30)26(19)5)15(28)22-10-11-6-8-12(21)9-7-11/h6-9,27H,10H2,1-5H3,(H,22,28)(H,24,29).
What are the key properties of N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide?
N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide has a molecular weight of 433.44 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N',N'-dimethyloxamide is sourced from PubChem (CID 54712015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).