ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C15H18F3N3S — CID 143932945

IUPACethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCC.CSc1nc(N)c(C)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3S.C2H6/c1-7-10(18-12(20-2)19-11(7)17)8-4-3-5-9(6-8)13(14,15)16;1-2/h3-6H,1-2H3,(H2,17,18,19);1-2H3
InChIKeyGKLFODOAWCGOEZ-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.80
Rot. Bonds2

About ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 143932945) has the molecular formula C15H18F3N3S and a molecular weight of 329.39 g/mol. Its IUPAC name is ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID143932945
Molecular FormulaC15H18F3N3S
Molecular Weight329.39 g/mol
Exact Mass329.12
IUPAC Nameethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCC.CSc1nc(N)c(C)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3S.C2H6/c1-7-10(18-12(20-2)19-11(7)17)8-4-3-5-9(6-8)13(14,15)16;1-2/h3-6H,1-2H3,(H2,17,18,19);1-2H3
InChIKeyGKLFODOAWCGOEZ-UHFFFAOYSA-N
XLogP4.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 143932945) is ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is CC.CSc1nc(N)c(C)c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is GKLFODOAWCGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S.C2H6/c1-7-10(18-12(20-2)19-11(7)17)8-4-3-5-9(6-8)13(14,15)16;1-2/h3-6H,1-2H3,(H2,17,18,19);1-2H3.
What are the key properties of ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 329.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 143932945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).