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

C23H28FN5O6 — CID 54748227

IUPACN-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
SMILESCOCCN1CCN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)C1=O
InChIInChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)
InChIKeyMWOWPHYFPJLZBJ-UHFFFAOYSA-N
MW489.50 g/mol
LogP0.95
Rot. Bonds8

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

N-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide (PubChem CID 54748227) has the molecular formula C23H28FN5O6 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[[4-fluoro-2-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
PubChem CID54748227
Molecular FormulaC23H28FN5O6
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC NameN-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide
SMILESCOCCN1CCN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)C1=O
InChIInChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)
InChIKeyMWOWPHYFPJLZBJ-UHFFFAOYSA-N
XLogP0.95
TPSA126.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide (CID 54748227) is N-[[4-fluoro-2-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide is COCCN1CCN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)C1=O.
What is the InChIKey of N-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide?
The InChIKey is MWOWPHYFPJLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31).
What are the key properties of N-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide?
N-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-[3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl]phenyl]methyl]-5-hydroxy-1-methyl-6-oxo-2-(oxolan-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54748227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).