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

C18H24F2N4O — CID 118420289

IUPAC5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2cc(C(F)F)c(OCC(C)CC(C)(C)N)cn2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(8-18(3,4)21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(2)24-14/h5-7,9,11,17H,8,10,21H2,1-4H3
InChIKeyXFSHBRSSHDGVNA-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

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

5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420289) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420289
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2cc(C(F)F)c(OCC(C)CC(C)(C)N)cn2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(8-18(3,4)21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(2)24-14/h5-7,9,11,17H,8,10,21H2,1-4H3
InChIKeyXFSHBRSSHDGVNA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420289) is 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nccc(-c2cc(C(F)F)c(OCC(C)CC(C)(C)N)cn2)n1.
What is the InChIKey of 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is XFSHBRSSHDGVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(8-18(3,4)21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(2)24-14/h5-7,9,11,17H,8,10,21H2,1-4H3.
What are the key properties of 5-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
5-[[4-(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-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).