(2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C18H24F2N4O — CID 118429983

IUPAC(2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-17-14(16(19)20)7-13(9-23-17)15-5-6-22-12(3)24-15/h5-7,9,11,16H,8,10,21H2,1-4H3/t18-/m0/s1
InChIKeyAALSHYORLVJEBZ-SFHVURJKSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

About (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429983) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429983
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)n1
InChIInChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-17-14(16(19)20)7-13(9-23-17)15-5-6-22-12(3)24-15/h5-7,9,11,16H,8,10,21H2,1-4H3/t18-/m0/s1
InChIKeyAALSHYORLVJEBZ-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-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
methyl N-[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-5-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 118429886
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
4-(5-Methoxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133127
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347174
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[3-(Dimethylamino)propoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347180
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347181
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 14347182

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429983) is (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nccc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)n1.
What is the InChIKey of (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is AALSHYORLVJEBZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-17-14(16(19)20)7-13(9-23-17)15-5-6-22-12(3)24-15/h5-7,9,11,16H,8,10,21H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-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-[[3-(difluoromethyl)-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).