N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide

C23H30FN5O6S — CID 118724073

IUPACN-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O
InChIInChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)
InChIKeyVSUMUXSYGVEZBP-UHFFFAOYSA-N
MW523.59 g/mol
LogP1.22
Rot. Bonds5

About N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide

N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 118724073) has the molecular formula C23H30FN5O6S and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID118724073
Molecular FormulaC23H30FN5O6S
Molecular Weight523.59 g/mol
Exact Mass523.19
IUPAC NameN-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O
InChIInChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)
InChIKeyVSUMUXSYGVEZBP-UHFFFAOYSA-N
XLogP1.22
TPSA134.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide (CID 118724073) is N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide is CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O.
What is the InChIKey of N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is VSUMUXSYGVEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31).
What are the key properties of N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide?
N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(4,4,5-trimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 118724073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).