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

C12H16FN3O2 — CID 90634164

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H16FN3O2/c1-8(17)16-10-2-4-11(5-3-10)18-12-14-6-9(13)7-15-12/h6-7,10-11H,2-5H2,1H3,(H,16,17)
InChIKeyQSKOXCYIGFBZIK-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.44
Rot. Bonds3

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90634164) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90634164
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C12H16FN3O2/c1-8(17)16-10-2-4-11(5-3-10)18-12-14-6-9(13)7-15-12/h6-7,10-11H,2-5H2,1H3,(H,16,17)
InChIKeyQSKOXCYIGFBZIK-UHFFFAOYSA-N
XLogP1.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90634164) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is QSKOXCYIGFBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8(17)16-10-2-4-11(5-3-10)18-12-14-6-9(13)7-15-12/h6-7,10-11H,2-5H2,1H3,(H,16,17).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 253.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90634164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).