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

C14H20FN3O2 — CID 90634167

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-9(2)13(19)18-11-3-5-12(6-4-11)20-14-16-7-10(15)8-17-14/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyWXEILMYNZNAQMU-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.08
Rot. Bonds4

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide (PubChem CID 90634167) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide
PubChem CID90634167
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-9(2)13(19)18-11-3-5-12(6-4-11)20-14-16-7-10(15)8-17-14/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyWXEILMYNZNAQMU-UHFFFAOYSA-N
XLogP2.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide (CID 90634167) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide is CC(C)C(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
The InChIKey is WXEILMYNZNAQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9(2)13(19)18-11-3-5-12(6-4-11)20-14-16-7-10(15)8-17-14/h7-9,11-12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.08, 4 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]-2-methylpropanamide is sourced from PubChem (CID 90634167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).