N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide

C13H18FN3O3 — CID 91626365

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H18FN3O3/c1-19-8-12(18)17-10-2-4-11(5-3-10)20-13-15-6-9(14)7-16-13/h6-7,10-11H,2-5,8H2,1H3,(H,17,18)
InChIKeyDNWKSKIRTRIFQF-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.07
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide (PubChem CID 91626365) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide
PubChem CID91626365
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H18FN3O3/c1-19-8-12(18)17-10-2-4-11(5-3-10)20-13-15-6-9(14)7-16-13/h6-7,10-11H,2-5,8H2,1H3,(H,17,18)
InChIKeyDNWKSKIRTRIFQF-UHFFFAOYSA-N
XLogP1.07
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1r,4r)-4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]-1-acetyl-4-piperidinecarboxamide
CID 91626362
2-(N-methylmethanesulfonamido)-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]acetamide
CID 91626402
N-[4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]acetylaminoacetamide
CID 91626408
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]oxolane-3-carboxamide
CID 91626422
2-oxo-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]imidazolidine-1-carboxamide
CID 91626437
2-ethoxy-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)acetamide
CID 91626239
3-(2-Methoxyethyl)-1-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]urea
CID 91626327
2-ethoxy-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 91626367
3,3,3-trifluoro-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)propanamide
CID 91626415
1-((1r,4r)-4-((5-Fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-(2-methoxyethyl)urea
CID 91626433
1-((1r,4r)-4-((5-Fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-propylurea
CID 91626434
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide (CID 91626365) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide is COCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide?
The InChIKey is DNWKSKIRTRIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-19-8-12(18)17-10-2-4-11(5-3-10)20-13-15-6-9(14)7-16-13/h6-7,10-11H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide has a molecular weight of 283.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methoxyacetamide is sourced from PubChem (CID 91626365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).