N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide

C21H24FN5O5 — CID 54748226

IUPACN-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
SMILESCN1CCN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)C1=O
InChIInChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)
InChIKeyKUXQWPGTVKYTOX-UHFFFAOYSA-N
MW445.45 g/mol
LogP0.93
Rot. Bonds5

About N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide

N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide (PubChem CID 54748226) has the molecular formula C21H24FN5O5 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
PubChem CID54748226
Molecular FormulaC21H24FN5O5
Molecular Weight445.45 g/mol
Exact Mass445.18
IUPAC NameN-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
SMILESCN1CCN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)C1=O
InChIInChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)
InChIKeyKUXQWPGTVKYTOX-UHFFFAOYSA-N
XLogP0.93
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide (CID 54748226) is N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide is CN1CCN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)C1=O.
What is the InChIKey of N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide?
The InChIKey is KUXQWPGTVKYTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29).
What are the key properties of N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide?
N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54748226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).