(2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C18H24F2N4O — CID 129279903

IUPAC(2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(3)24-14/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1
InChIKeyCDMSYPKSRHQLQX-SFHVURJKSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

About (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 129279903) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID129279903
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(3)24-14/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1
InChIKeyCDMSYPKSRHQLQX-SFHVURJKSA-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 (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 129279903) is (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nccc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)n1.
What is the InChIKey of (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is CDMSYPKSRHQLQX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-16-9-23-15(7-13(16)17(19)20)14-5-6-22-12(3)24-14/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[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 (2S)-1-[[4-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 129279903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).