4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine

C10H9F3N4O2S — CID 58660059

IUPAC4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine
SMILESCc1cc(S(C)(=O)=O)nc(C2N=CC(C(F)(F)F)=N2)n1
InChIInChI=1S/C10H9F3N4O2S/c1-5-3-7(20(2,18)19)17-9(15-5)8-14-4-6(16-8)10(11,12)13/h3-4,8H,1-2H3
InChIKeyQDUHZCYCGIQBRG-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.27
Rot. Bonds2

About 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine

4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine (PubChem CID 58660059) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine
PubChem CID58660059
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC Name4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine
SMILESCc1cc(S(C)(=O)=O)nc(C2N=CC(C(F)(F)F)=N2)n1
InChIInChI=1S/C10H9F3N4O2S/c1-5-3-7(20(2,18)19)17-9(15-5)8-14-4-6(16-8)10(11,12)13/h3-4,8H,1-2H3
InChIKeyQDUHZCYCGIQBRG-UHFFFAOYSA-N
XLogP1.27
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine?
The IUPAC name of 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine (CID 58660059) is 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine is Cc1cc(S(C)(=O)=O)nc(C2N=CC(C(F)(F)F)=N2)n1.
What is the InChIKey of 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine?
The InChIKey is QDUHZCYCGIQBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c1-5-3-7(20(2,18)19)17-9(15-5)8-14-4-6(16-8)10(11,12)13/h3-4,8H,1-2H3.
What are the key properties of 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine?
4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine has a molecular weight of 306.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine is sourced from PubChem (CID 58660059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).