2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine

C16H24F2N4 — CID 58228371

IUPAC2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCC(c1cnc(C2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N4/c17-16(18)5-7-22(8-6-16)14(9-19)13-10-20-15(21-11-13)12-3-1-2-4-12/h10-12,14H,1-9,19H2
InChIKeyQVTJXRGICMVPIB-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine

2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (PubChem CID 58228371) has the molecular formula C16H24F2N4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
PubChem CID58228371
Molecular FormulaC16H24F2N4
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Name2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCC(c1cnc(C2CCCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N4/c17-16(18)5-7-22(8-6-16)14(9-19)13-10-20-15(21-11-13)12-3-1-2-4-12/h10-12,14H,1-9,19H2
InChIKeyQVTJXRGICMVPIB-UHFFFAOYSA-N
XLogP2.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (CID 58228371) is 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is NCC(c1cnc(C2CCCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The InChIKey is QVTJXRGICMVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4/c17-16(18)5-7-22(8-6-16)14(9-19)13-10-20-15(21-11-13)12-3-1-2-4-12/h10-12,14H,1-9,19H2.
What are the key properties of 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine has a molecular weight of 310.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is sourced from PubChem (CID 58228371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).