N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C14H20FN3O3 — CID 91343531

IUPACN-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C2OC(CC(C)C)CC2F)c(=O)n1
InChIInChI=1S/C14H20FN3O3/c1-8(2)6-10-7-11(15)13(21-10)18-5-4-12(16-9(3)19)17-14(18)20/h4-5,8,10-11,13H,6-7H2,1-3H3,(H,16,17,19,20)
InChIKeySVOSBHOWRBGXCZ-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.87
Rot. Bonds4

About N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 91343531) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
PubChem CID91343531
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ccn(C2OC(CC(C)C)CC2F)c(=O)n1
InChIInChI=1S/C14H20FN3O3/c1-8(2)6-10-7-11(15)13(21-10)18-5-4-12(16-9(3)19)17-14(18)20/h4-5,8,10-11,13H,6-7H2,1-3H3,(H,16,17,19,20)
InChIKeySVOSBHOWRBGXCZ-UHFFFAOYSA-N
XLogP1.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 57887609
4-amino-1-[(2R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 57957659
4-amino-1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 57957662
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 58948021
N-[1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 59408210
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-3-methyl-5-(2-methylpropyl)-4-propan-2-yloxolan-2-yl]pyrimidin-2-one
CID 69756572
4-amino-1-[(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 70847270
4-Amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one
CID 76675095
4-amino-1-[(2R,3R,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 89658276
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl]pyrimidin-2-one
CID 89658280
4-amino-1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-4-methyl-5-(3-methylbutyl)oxolan-2-yl]pyrimidin-2-one
CID 89658490
4-amino-1-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 90251491

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 91343531) is N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn(C2OC(CC(C)C)CC2F)c(=O)n1.
What is the InChIKey of N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is SVOSBHOWRBGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-8(2)6-10-7-11(15)13(21-10)18-5-4-12(16-9(3)19)17-14(18)20/h4-5,8,10-11,13H,6-7H2,1-3H3,(H,16,17,19,20).
What are the key properties of N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?
N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-5-(2-methylpropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 91343531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).