6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine

C12H9F2N5S — CID 139343340

IUPAC6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
SMILESCSc1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C12H9F2N5S/c1-20-10-2-3-15-12(18-10)8-4-17-9-5-16-7(11(13)14)6-19(8)9/h2-6,11H,1H3
InChIKeyAJICYWDTWVTDBJ-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.85
Rot. Bonds3

About 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (PubChem CID 139343340) has the molecular formula C12H9F2N5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
PubChem CID139343340
Molecular FormulaC12H9F2N5S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
SMILESCSc1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C12H9F2N5S/c1-20-10-2-3-15-12(18-10)8-4-17-9-5-16-7(11(13)14)6-19(8)9/h2-6,11H,1H3
InChIKeyAJICYWDTWVTDBJ-UHFFFAOYSA-N
XLogP2.85
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (CID 139343340) is 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is CSc1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The InChIKey is AJICYWDTWVTDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5S/c1-20-10-2-3-15-12(18-10)8-4-17-9-5-16-7(11(13)14)6-19(8)9/h2-6,11H,1H3.
What are the key properties of 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine has a molecular weight of 293.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).