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

C13H11F2N5S — CID 139343381

IUPAC6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
SMILESCSc1ccnc(-c2cnc3cnc(C(C)(F)F)cn23)n1
InChIInChI=1S/C13H11F2N5S/c1-13(14,15)9-7-20-8(5-18-10(20)6-17-9)12-16-4-3-11(19-12)21-2/h3-7H,1-2H3
InChIKeyIMHMSRDVYHMWQS-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.02
Rot. Bonds3

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

6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (PubChem CID 139343381) has the molecular formula C13H11F2N5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
PubChem CID139343381
Molecular FormulaC13H11F2N5S
Molecular Weight307.33 g/mol
Exact Mass307.07
IUPAC Name6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
SMILESCSc1ccnc(-c2cnc3cnc(C(C)(F)F)cn23)n1
InChIInChI=1S/C13H11F2N5S/c1-13(14,15)9-7-20-8(5-18-10(20)6-17-9)12-16-4-3-11(19-12)21-2/h3-7H,1-2H3
InChIKeyIMHMSRDVYHMWQS-UHFFFAOYSA-N
XLogP3.02
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (CID 139343381) is 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is CSc1ccnc(-c2cnc3cnc(C(C)(F)F)cn23)n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The InChIKey is IMHMSRDVYHMWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5S/c1-13(14,15)9-7-20-8(5-18-10(20)6-17-9)12-16-4-3-11(19-12)21-2/h3-7H,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine has a molecular weight of 307.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).