2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide

C18H26F2N4O2 — CID 176738553

IUPAC2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOC1CCN(c2nc(C)c(NC(=O)CC3CC(F)(F)C3)c(C)n2)CC1
InChIInChI=1S/C18H26F2N4O2/c1-11-16(23-15(25)8-13-9-18(19,20)10-13)12(2)22-17(21-11)24-6-4-14(26-3)5-7-24/h13-14H,4-10H2,1-3H3,(H,23,25)
InChIKeyOWPYQZVQSOIHHU-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.08
Rot. Bonds5

About 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide

2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 176738553) has the molecular formula C18H26F2N4O2 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID176738553
Molecular FormulaC18H26F2N4O2
Molecular Weight368.43 g/mol
Exact Mass368.20
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOC1CCN(c2nc(C)c(NC(=O)CC3CC(F)(F)C3)c(C)n2)CC1
InChIInChI=1S/C18H26F2N4O2/c1-11-16(23-15(25)8-13-9-18(19,20)10-13)12(2)22-17(21-11)24-6-4-14(26-3)5-7-24/h13-14H,4-10H2,1-3H3,(H,23,25)
InChIKeyOWPYQZVQSOIHHU-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide (CID 176738553) is 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide is COC1CCN(c2nc(C)c(NC(=O)CC3CC(F)(F)C3)c(C)n2)CC1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is OWPYQZVQSOIHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O2/c1-11-16(23-15(25)8-13-9-18(19,20)10-13)12(2)22-17(21-11)24-6-4-14(26-3)5-7-24/h13-14H,4-10H2,1-3H3,(H,23,25).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[2-(4-methoxypiperidin-1-yl)-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 176738553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).