[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol

C9H9FN4OS — CID 104606281

IUPAC[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1Sc1ncc(F)cn1
InChIInChI=1S/C9H9FN4OS/c1-14-7(5-15)4-13-9(14)16-8-11-2-6(10)3-12-8/h2-4,15H,5H2,1H3
InChIKeyIUURBAGVHLONPO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.99
Rot. Bonds3

About [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol

[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol (PubChem CID 104606281) has the molecular formula C9H9FN4OS and a molecular weight of 240.26 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol
PubChem CID104606281
Molecular FormulaC9H9FN4OS
Molecular Weight240.26 g/mol
Exact Mass240.05
IUPAC Name[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1Sc1ncc(F)cn1
InChIInChI=1S/C9H9FN4OS/c1-14-7(5-15)4-13-9(14)16-8-11-2-6(10)3-12-8/h2-4,15H,5H2,1H3
InChIKeyIUURBAGVHLONPO-UHFFFAOYSA-N
XLogP0.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol (CID 104606281) is [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1Sc1ncc(F)cn1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
The InChIKey is IUURBAGVHLONPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4OS/c1-14-7(5-15)4-13-9(14)16-8-11-2-6(10)3-12-8/h2-4,15H,5H2,1H3.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol has a molecular weight of 240.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 104606281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).