2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine

C13H19F2N3 — CID 86716362

IUPAC2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(CN)C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H19F2N3/c1-9-17-7-11(8-18-9)12(6-16)10-2-4-13(14,15)5-3-10/h7-8,10,12H,2-6,16H2,1H3
InChIKeyFEWQGNVIIFBGFC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.65
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine

2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine (PubChem CID 86716362) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine
PubChem CID86716362
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(CN)C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H19F2N3/c1-9-17-7-11(8-18-9)12(6-16)10-2-4-13(14,15)5-3-10/h7-8,10,12H,2-6,16H2,1H3
InChIKeyFEWQGNVIIFBGFC-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine (CID 86716362) is 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine is Cc1ncc(C(CN)C2CCC(F)(F)CC2)cn1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine?
The InChIKey is FEWQGNVIIFBGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-9-17-7-11(8-18-9)12(6-16)10-2-4-13(14,15)5-3-10/h7-8,10,12H,2-6,16H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine?
2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-(2-methylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 86716362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).