N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide

C17H24FN3O4 — CID 17392303

IUPACN-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn(C2CCCO2)c1=O)NC1CCCCCC1
InChIInChI=1S/C17H24FN3O4/c18-13-10-20(15-8-5-9-25-15)17(24)21(16(13)23)11-14(22)19-12-6-3-1-2-4-7-12/h10,12,15H,1-9,11H2,(H,19,22)
InChIKeyQUWBQLZZXLATGF-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.30
Rot. Bonds4

About N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide

N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide (PubChem CID 17392303) has the molecular formula C17H24FN3O4 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
PubChem CID17392303
Molecular FormulaC17H24FN3O4
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC NameN-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn(C2CCCO2)c1=O)NC1CCCCCC1
InChIInChI=1S/C17H24FN3O4/c18-13-10-20(15-8-5-9-25-15)17(24)21(16(13)23)11-14(22)19-12-6-3-1-2-4-7-12/h10,12,15H,1-9,11H2,(H,19,22)
InChIKeyQUWBQLZZXLATGF-UHFFFAOYSA-N
XLogP1.30
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide (CID 17392303) is N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)c(F)cn(C2CCCO2)c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
The InChIKey is QUWBQLZZXLATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4/c18-13-10-20(15-8-5-9-25-15)17(24)21(16(13)23)11-14(22)19-12-6-3-1-2-4-7-12/h10,12,15H,1-9,11H2,(H,19,22).
What are the key properties of N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide?
N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide has a molecular weight of 353.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 17392303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).