2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol

C12H16N4OS — CID 56759157

IUPAC2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol
SMILESCCCSc1ncc(-c2nccn2CCO)cn1
InChIInChI=1S/C12H16N4OS/c1-2-7-18-12-14-8-10(9-15-12)11-13-3-4-16(11)5-6-17/h3-4,8-9,17H,2,5-7H2,1H3
InChIKeyVKIOMLJLHLXBFN-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.83
Rot. Bonds6

About 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol

2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol (PubChem CID 56759157) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol
PubChem CID56759157
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol
SMILESCCCSc1ncc(-c2nccn2CCO)cn1
InChIInChI=1S/C12H16N4OS/c1-2-7-18-12-14-8-10(9-15-12)11-13-3-4-16(11)5-6-17/h3-4,8-9,17H,2,5-7H2,1H3
InChIKeyVKIOMLJLHLXBFN-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol (CID 56759157) is 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol is CCCSc1ncc(-c2nccn2CCO)cn1.
What is the InChIKey of 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol?
The InChIKey is VKIOMLJLHLXBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-7-18-12-14-8-10(9-15-12)11-13-3-4-16(11)5-6-17/h3-4,8-9,17H,2,5-7H2,1H3.
What are the key properties of 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol?
2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol has a molecular weight of 264.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 56759157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).