2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine

C13H10F3N5S — CID 20787279

IUPAC2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C(F)(F)F)nc(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C13H10F3N5S/c1-8-5-10(13(14,15)16)20-12(18-8)22-7-9-6-21-4-2-3-17-11(21)19-9/h2-6H,7H2,1H3
InChIKeyRPOBELHKBGWLTE-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.14
Rot. Bonds3

About 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine

2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 20787279) has the molecular formula C13H10F3N5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID20787279
Molecular FormulaC13H10F3N5S
Molecular Weight325.32 g/mol
Exact Mass325.06
IUPAC Name2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C(F)(F)F)nc(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C13H10F3N5S/c1-8-5-10(13(14,15)16)20-12(18-8)22-7-9-6-21-4-2-3-17-11(21)19-9/h2-6H,7H2,1H3
InChIKeyRPOBELHKBGWLTE-UHFFFAOYSA-N
XLogP3.14
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
3-Bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
5-Methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 4176722
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
CID 776109
5,7-Dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
CID 4533482
2-(2-Pyrazin-2-ylethylsulfanyl)-4-(trifluoromethyl)pyrimidine
CID 172434735

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 20787279) is 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C(F)(F)F)nc(SCc2cn3cccnc3n2)n1.
What is the InChIKey of 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is RPOBELHKBGWLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S/c1-8-5-10(13(14,15)16)20-12(18-8)22-7-9-6-21-4-2-3-17-11(21)19-9/h2-6H,7H2,1H3.
What are the key properties of 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 325.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 20787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).