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

C18H12F3N5S — CID 58824663

IUPAC2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
SMILESCSc1nccc(-c2nc3ncccn3c2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F3N5S/c1-27-17-23-8-6-13(24-17)14-15(26-9-3-7-22-16(26)25-14)11-4-2-5-12(10-11)18(19,20)21/h2-10H,1H3
InChIKeyHKRMTUACZXNVPF-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.59
Rot. Bonds3

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

2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 58824663) has the molecular formula C18H12F3N5S and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID58824663
Molecular FormulaC18H12F3N5S
Molecular Weight387.39 g/mol
Exact Mass387.08
IUPAC Name2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
SMILESCSc1nccc(-c2nc3ncccn3c2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H12F3N5S/c1-27-17-23-8-6-13(24-17)14-15(26-9-3-7-22-16(26)25-14)11-4-2-5-12(10-11)18(19,20)21/h2-10H,1H3
InChIKeyHKRMTUACZXNVPF-UHFFFAOYSA-N
XLogP4.59
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine (CID 58824663) is 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine is CSc1nccc(-c2nc3ncccn3c2-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is HKRMTUACZXNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5S/c1-27-17-23-8-6-13(24-17)14-15(26-9-3-7-22-16(26)25-14)11-4-2-5-12(10-11)18(19,20)21/h2-10H,1H3.
What are the key properties of 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 387.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 58824663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).