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

C14H19FN4O3 — CID 91626408

IUPAC2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN4O3/c1-9(20)16-8-13(21)19-11-2-4-12(5-3-11)22-14-17-6-10(15)7-18-14/h6-7,11-12H,2-5,8H2,1H3,(H,16,20)(H,19,21)
InChIKeyHPLPWQDGJJIETB-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.56
Rot. Bonds5

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

2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 91626408) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID91626408
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN4O3/c1-9(20)16-8-13(21)19-11-2-4-12(5-3-11)22-14-17-6-10(15)7-18-14/h6-7,11-12H,2-5,8H2,1H3,(H,16,20)(H,19,21)
InChIKeyHPLPWQDGJJIETB-UHFFFAOYSA-N
XLogP0.56
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
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
2-acetamido-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-4-(methylthio)butanamide
CID 91626409
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
3-(2-Methoxyethyl)-1-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]urea
CID 91626327
2-(N-methylmethanesulfonamido)-N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]acetamide
CID 91626284
2-methoxy-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]acetamide
CID 91626365
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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (CID 91626408) is 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is CC(=O)NCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is HPLPWQDGJJIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-9(20)16-8-13(21)19-11-2-4-12(5-3-11)22-14-17-6-10(15)7-18-14/h6-7,11-12H,2-5,8H2,1H3,(H,16,20)(H,19,21).
What are the key properties of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 91626408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).