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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Related Compounds

2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41139392
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41139391
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide
CID 41135299
5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149455
5-fluoro-3-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149405
4-amino-2-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]butanoic acid
CID 69456008
5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione
CID 70585782
N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665559
N-cyclohexyl-2-[4,6-dioxo-5-[[(2R)-oxolan-2-yl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-yl]acetamide
CID 93065903
N-cyclohexyl-2-[4,6-dioxo-5-[[(2S)-oxolan-2-yl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-yl]acetamide
CID 93065902
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-cycloheptylacetamide
CID 53116238

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).