(1-pyrimidin-2-ylimidazol-4-yl)methanol

C8H8N4O — CID 22630839

IUPAC(1-pyrimidin-2-ylimidazol-4-yl)methanol
SMILESOCc1cn(-c2ncccn2)cn1
InChIInChI=1S/C8H8N4O/c13-5-7-4-12(6-11-7)8-9-2-1-3-10-8/h1-4,6,13H,5H2
InChIKeyVZEILGSQGLOSRH-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.15
Rot. Bonds2

About (1-pyrimidin-2-ylimidazol-4-yl)methanol

(1-pyrimidin-2-ylimidazol-4-yl)methanol (PubChem CID 22630839) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (1-pyrimidin-2-ylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1-pyrimidin-2-ylimidazol-4-yl)methanol
PubChem CID22630839
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(1-pyrimidin-2-ylimidazol-4-yl)methanol
SMILESOCc1cn(-c2ncccn2)cn1
InChIInChI=1S/C8H8N4O/c13-5-7-4-12(6-11-7)8-9-2-1-3-10-8/h1-4,6,13H,5H2
InChIKeyVZEILGSQGLOSRH-UHFFFAOYSA-N
XLogP0.15
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-pyrimidin-2-ylimidazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-2-ylimidazol-4-yl)methanol?
The IUPAC name of (1-pyrimidin-2-ylimidazol-4-yl)methanol (CID 22630839) is (1-pyrimidin-2-ylimidazol-4-yl)methanol.
What is the SMILES notation for (1-pyrimidin-2-ylimidazol-4-yl)methanol?
The canonical SMILES for (1-pyrimidin-2-ylimidazol-4-yl)methanol is OCc1cn(-c2ncccn2)cn1.
What is the InChIKey of (1-pyrimidin-2-ylimidazol-4-yl)methanol?
The InChIKey is VZEILGSQGLOSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-5-7-4-12(6-11-7)8-9-2-1-3-10-8/h1-4,6,13H,5H2.
What are the key properties of (1-pyrimidin-2-ylimidazol-4-yl)methanol?
(1-pyrimidin-2-ylimidazol-4-yl)methanol has a molecular weight of 176.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-2-ylimidazol-4-yl)methanol is sourced from PubChem (CID 22630839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).