2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

C10H9F3N4S — CID 52662458

IUPAC2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
SMILESCn1ccnc1CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4S/c1-17-5-4-14-8(17)6-18-9-15-3-2-7(16-9)10(11,12)13/h2-5H,6H2,1H3
InChIKeyYAVNHZKMLUNFNE-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine (PubChem CID 52662458) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
PubChem CID52662458
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
SMILESCn1ccnc1CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4S/c1-17-5-4-14-8(17)6-18-9-15-3-2-7(16-9)10(11,12)13/h2-5H,6H2,1H3
InChIKeyYAVNHZKMLUNFNE-UHFFFAOYSA-N
XLogP2.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine (CID 52662458) is 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine is Cn1ccnc1CSc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is YAVNHZKMLUNFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c1-17-5-4-14-8(17)6-18-9-15-3-2-7(16-9)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine?
2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 274.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 52662458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).