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

C12H8F3N5S — CID 139344018

IUPAC3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCSc1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C12H8F3N5S/c1-21-10-2-3-16-11(19-10)7-4-18-9-5-17-8(6-20(7)9)12(13,14)15/h2-6H,1H3
InChIKeyPKNWKBVSLSWHDM-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.93
Rot. Bonds2

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

3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139344018) has the molecular formula C12H8F3N5S and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139344018
Molecular FormulaC12H8F3N5S
Molecular Weight311.29 g/mol
Exact Mass311.05
IUPAC Name3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCSc1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C12H8F3N5S/c1-21-10-2-3-16-11(19-10)7-4-18-9-5-17-8(6-20(7)9)12(13,14)15/h2-6H,1H3
InChIKeyPKNWKBVSLSWHDM-UHFFFAOYSA-N
XLogP2.93
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methylsulfanyl-9-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]purine
CID 46903612
N-methyl-9-(2-methylsulfanylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 9997392
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
CID 10360637
N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10383686
N-cyclopropyl-9-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)purin-6-amine
CID 68525370
N-methylmethanamine;9-(4-methylsulfonylpyrimidin-2-yl)-2-(trifluoromethyl)purine
CID 69080614
9-(2-Methylsulfanylpyrimidin-4-yl)-6-pyrrolidin-1-yl-2-(trifluoromethyl)purine
CID 69254233
6-(Difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 139343340
6-(1,1-Difluoroethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 139343381
3-[4-[3-(Methylsulfinylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343685
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
3-(4-Methyl-6-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343787

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139344018) is 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CSc1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is PKNWKBVSLSWHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5S/c1-21-10-2-3-16-11(19-10)7-4-18-9-5-17-8(6-20(7)9)12(13,14)15/h2-6H,1H3.
What are the key properties of 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 311.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139344018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).