5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C18H24F2N4O — CID 118419792

IUPAC5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2ccc(OCC(C)CC(C)(C)N)c(C(F)F)n2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(9-18(3,4)21)10-25-15-6-5-13(24-16(15)17(19)20)14-7-8-22-12(2)23-14/h5-8,11,17H,9-10,21H2,1-4H3
InChIKeyPUVLJYITFLJNPE-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

About 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118419792) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118419792
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2ccc(OCC(C)CC(C)(C)N)c(C(F)F)n2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(9-18(3,4)21)10-25-15-6-5-13(24-16(15)17(19)20)14-7-8-22-12(2)23-14/h5-8,11,17H,9-10,21H2,1-4H3
InChIKeyPUVLJYITFLJNPE-UHFFFAOYSA-N
XLogP3.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine 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 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118419792) is 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nccc(-c2ccc(OCC(C)CC(C)(C)N)c(C(F)F)n2)n1.
What is the InChIKey of 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is PUVLJYITFLJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(9-18(3,4)21)10-25-15-6-5-13(24-16(15)17(19)20)14-7-8-22-12(2)23-14/h5-8,11,17H,9-10,21H2,1-4H3.
What are the key properties of 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 350.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118419792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).