1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine

C13H19F2N3 — CID 90221296

IUPAC1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(C)(N)C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H19F2N3/c1-9-17-7-11(8-18-9)12(2,16)10-3-5-13(14,15)6-4-10/h7-8,10H,3-6,16H2,1-2H3
InChIKeySSOJQXPXDYSNGS-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.78
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine

1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine (PubChem CID 90221296) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine
PubChem CID90221296
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(C)(N)C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H19F2N3/c1-9-17-7-11(8-18-9)12(2,16)10-3-5-13(14,15)6-4-10/h7-8,10H,3-6,16H2,1-2H3
InChIKeySSOJQXPXDYSNGS-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine (CID 90221296) is 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine is Cc1ncc(C(C)(N)C2CCC(F)(F)CC2)cn1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine?
The InChIKey is SSOJQXPXDYSNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-9-17-7-11(8-18-9)12(2,16)10-3-5-13(14,15)6-4-10/h7-8,10H,3-6,16H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine?
1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1-(2-methylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 90221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).