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

C15H22F2N4O — CID 58228182

IUPAC2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCC(c1cnc(OC2CCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N4O/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,1-8,18H2
InChIKeySCZSOPUOCKTQIR-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.14
Rot. Bonds5

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

2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (PubChem CID 58228182) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
PubChem CID58228182
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC Name2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
SMILESNCC(c1cnc(OC2CCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N4O/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,1-8,18H2
InChIKeySCZSOPUOCKTQIR-UHFFFAOYSA-N
XLogP2.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Related Compounds

5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
1-{2-[(5-Ethylpyrimidin-2-YL)amino]ethyl}piperidin-4-OL
CID 72856377
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
CID 46835573
beta-(4,4-Difluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
CID 58227873
2-[2-(Cyclopropylmethoxy)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227881
(2S)-2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58227927
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-ylpyrimidin-5-yl)ethanamine
CID 58227928
I(2)-(4-Fluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
CID 58227980
2-(3-Methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58227982
2-(4,4-Difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethanamine
CID 58227987
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine
CID 58228007
2-(2-Methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58228035

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine (CID 58228182) is 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine is NCC(c1cnc(OC2CCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
The InChIKey is SCZSOPUOCKTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/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,1-8,18H2.
What are the key properties of 2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine?
2-(2-cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine has a molecular weight of 312.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 58228182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).