2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide

C17H25FN4O2 — CID 176738451

IUPAC2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOC1CCN(c2nc(C)c(NC(=O)CC3(F)CC3)c(C)n2)CC1
InChIInChI=1S/C17H25FN4O2/c1-11-15(21-14(23)10-17(18)6-7-17)12(2)20-16(19-11)22-8-4-13(24-3)5-9-22/h13H,4-10H2,1-3H3,(H,21,23)
InChIKeyUNWACPAWXOGZDP-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.54
Rot. Bonds5

About 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide

2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 176738451) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID176738451
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOC1CCN(c2nc(C)c(NC(=O)CC3(F)CC3)c(C)n2)CC1
InChIInChI=1S/C17H25FN4O2/c1-11-15(21-14(23)10-17(18)6-7-17)12(2)20-16(19-11)22-8-4-13(24-3)5-9-22/h13H,4-10H2,1-3H3,(H,21,23)
InChIKeyUNWACPAWXOGZDP-UHFFFAOYSA-N
XLogP2.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide (CID 176738451) is 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide is COC1CCN(c2nc(C)c(NC(=O)CC3(F)CC3)c(C)n2)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is UNWACPAWXOGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-11-15(21-14(23)10-17(18)6-7-17)12(2)20-16(19-11)22-8-4-13(24-3)5-9-22/h13H,4-10H2,1-3H3,(H,21,23).
What are the key properties of 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 176738451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).