ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C19H29F3N4O2S — CID 145374311

IUPACethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCC.CC.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C15H17F3N4O2S.2C2H6/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18;2*1-2/h5-7H,1-4H3,(H2,19,20,21);2*1-2H3
InChIKeyWCOWMVINCXXADE-UHFFFAOYSA-N
MW434.53 g/mol
LogP6.35
Rot. Bonds5

About ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 145374311) has the molecular formula C19H29F3N4O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Nameethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID145374311
Molecular FormulaC19H29F3N4O2S
Molecular Weight434.53 g/mol
Exact Mass434.20
IUPAC Nameethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCC.CC.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F
InChIInChI=1S/C15H17F3N4O2S.2C2H6/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18;2*1-2/h5-7H,1-4H3,(H2,19,20,21);2*1-2H3
InChIKeyWCOWMVINCXXADE-UHFFFAOYSA-N
XLogP6.35
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 145374311) is ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is CC.CC.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1SC(F)(F)F.
What is the InChIKey of ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is WCOWMVINCXXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S.2C2H6/c1-7(2)12-9(24-10-6-20-8(3)21-13(10)19)5-11(14(22-12)23-4)25-15(16,17)18;2*1-2/h5-7H,1-4H3,(H2,19,20,21);2*1-2H3.
What are the key properties of ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 434.53 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 145374311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).