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

C18H24F2N4O — CID 135282889

IUPAC(2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ncn1
InChIInChI=1S/C18H24F2N4O/c1-11(2)7-18(4,21)9-25-16-8-22-15(6-13(16)17(19)20)14-5-12(3)23-10-24-14/h5-6,8,10-11,17H,7,9,21H2,1-4H3/t18-/m0/s1
InChIKeyAJVXVKZDDMKCHR-SFHVURJKSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

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

(2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 135282889) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID135282889
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ncn1
InChIInChI=1S/C18H24F2N4O/c1-11(2)7-18(4,21)9-25-16-8-22-15(6-13(16)17(19)20)14-5-12(3)23-10-24-14/h5-6,8,10-11,17H,7,9,21H2,1-4H3/t18-/m0/s1
InChIKeyAJVXVKZDDMKCHR-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

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

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Related Compounds

Gdc-0134
CID 86298636
Pilavapadin
CID 118419773
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
US10093664, Example 3
CID 134590089
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 135282889) is (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ncn1.
What is the InChIKey of (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is AJVXVKZDDMKCHR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(2)7-18(4,21)9-25-16-8-22-15(6-13(16)17(19)20)14-5-12(3)23-10-24-14/h5-6,8,10-11,17H,7,9,21H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethyl)-6-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[4-(difluoromethyl)-6-(6-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-(6-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135282889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).