[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol

C12H16N4OS — CID 66150710

IUPAC[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
SMILESCCc1cc(Sc2ncc(CO)n2C)nc(C)n1
InChIInChI=1S/C12H16N4OS/c1-4-9-5-11(15-8(2)14-9)18-12-13-6-10(7-17)16(12)3/h5-6,17H,4,7H2,1-3H3
InChIKeyWZMKYQXXQVVTSI-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.72
Rot. Bonds4

About [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol

[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol (PubChem CID 66150710) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
PubChem CID66150710
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
SMILESCCc1cc(Sc2ncc(CO)n2C)nc(C)n1
InChIInChI=1S/C12H16N4OS/c1-4-9-5-11(15-8(2)14-9)18-12-13-6-10(7-17)16(12)3/h5-6,17H,4,7H2,1-3H3
InChIKeyWZMKYQXXQVVTSI-UHFFFAOYSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol (CID 66150710) is [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol is CCc1cc(Sc2ncc(CO)n2C)nc(C)n1.
What is the InChIKey of [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
The InChIKey is WZMKYQXXQVVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-9-5-11(15-8(2)14-9)18-12-13-6-10(7-17)16(12)3/h5-6,17H,4,7H2,1-3H3.
What are the key properties of [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol?
[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol has a molecular weight of 264.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66150710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).