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

C18H24F2N4O — CID 129279900

IUPAC(2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(2)9-18(4,21)10-25-15-6-5-13(24-16(15)17(19)20)14-7-8-22-12(3)23-14/h5-8,11,17H,9-10,21H2,1-4H3/t18-/m0/s1
InChIKeyBIQHWJJDUAWYEN-SFHVURJKSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

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

(2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 129279900) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID129279900
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(2)9-18(4,21)10-25-15-6-5-13(24-16(15)17(19)20)14-7-8-22-12(3)23-14/h5-8,11,17H,9-10,21H2,1-4H3/t18-/m0/s1
InChIKeyBIQHWJJDUAWYEN-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-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
US10093664, Example 3
CID 134590089
US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
US10155760, Example 146
CID 118429917
3-Methyl-1-[2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidin-4-yl]azetidine-3-carbonitrile
CID 126961699
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 129279900) is (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)n1.
What is the InChIKey of (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is BIQHWJJDUAWYEN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(2)9-18(4,21)10-25-15-6-5-13(24-16(15)17(19)20)14-7-8-22-12(3)23-14/h5-8,11,17H,9-10,21H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[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 (2S)-1-[[2-(difluoromethyl)-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 129279900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).