2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile

C15H18F2N4O — CID 58228281

IUPAC2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(OC2CCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H18F2N4O/c16-15(17)4-6-21(7-5-15)13(8-18)11-9-19-14(20-10-11)22-12-2-1-3-12/h9-10,12-13H,1-7H2
InChIKeyZFJDSPRKRSKYEV-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile

2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile (PubChem CID 58228281) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
PubChem CID58228281
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CC(c1cnc(OC2CCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H18F2N4O/c16-15(17)4-6-21(7-5-15)13(8-18)11-9-19-14(20-10-11)22-12-2-1-3-12/h9-10,12-13H,1-7H2
InChIKeyZFJDSPRKRSKYEV-UHFFFAOYSA-N
XLogP2.70
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile (CID 58228281) is 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile is N#CC(c1cnc(OC2CCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The InChIKey is ZFJDSPRKRSKYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c16-15(17)4-6-21(7-5-15)13(8-18)11-9-19-14(20-10-11)22-12-2-1-3-12/h9-10,12-13H,1-7H2.
What are the key properties of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile?
2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile has a molecular weight of 308.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile is sourced from PubChem (CID 58228281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).