3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine

C18H13F3N6S — CID 23000361

IUPAC3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
SMILESCSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3nc(N)ccn23)n1
InChIInChI=1S/C18H13F3N6S/c1-28-17-23-7-5-12(24-17)15-14(26-16-25-13(22)6-8-27(15)16)10-3-2-4-11(9-10)18(19,20)21/h2-9H,1H3,(H2,22,25,26)
InChIKeyFAPUNJKPAAWZMJ-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.18
Rot. Bonds3

About 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine

3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine (PubChem CID 23000361) has the molecular formula C18H13F3N6S and a molecular weight of 402.41 g/mol. Its IUPAC name is 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
PubChem CID23000361
Molecular FormulaC18H13F3N6S
Molecular Weight402.41 g/mol
Exact Mass402.09
IUPAC Name3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
SMILESCSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3nc(N)ccn23)n1
InChIInChI=1S/C18H13F3N6S/c1-28-17-23-7-5-12(24-17)15-14(26-16-25-13(22)6-8-27(15)16)10-3-2-4-11(9-10)18(19,20)21/h2-9H,1H3,(H2,22,25,26)
InChIKeyFAPUNJKPAAWZMJ-UHFFFAOYSA-N
XLogP4.18
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-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 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine (CID 23000361) is 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine is CSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3nc(N)ccn23)n1.
What is the InChIKey of 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
The InChIKey is FAPUNJKPAAWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6S/c1-28-17-23-7-5-12(24-17)15-14(26-16-25-13(22)6-8-27(15)16)10-3-2-4-11(9-10)18(19,20)21/h2-9H,1H3,(H2,22,25,26).
What are the key properties of 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine?
3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine has a molecular weight of 402.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 23000361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).