(4-cyclopropyloxypyrimidin-5-yl)boronic acid

C7H9BN2O3 — CID 171760230

IUPAC(4-cyclopropyloxypyrimidin-5-yl)boronic acid
SMILESOB(O)c1cncnc1OC1CC1
InChIInChI=1S/C7H9BN2O3/c11-8(12)6-3-9-4-10-7(6)13-5-1-2-5/h3-5,11-12H,1-2H2
InChIKeyXUTOQVKUOCRQFM-UHFFFAOYSA-N
MW179.97 g/mol
LogP-1.30
Rot. Bonds3

About (4-cyclopropyloxypyrimidin-5-yl)boronic acid

(4-cyclopropyloxypyrimidin-5-yl)boronic acid (PubChem CID 171760230) has the molecular formula C7H9BN2O3 and a molecular weight of 179.97 g/mol. Its IUPAC name is (4-cyclopropyloxypyrimidin-5-yl)boronic acid.

Molecular Properties

Compound Name(4-cyclopropyloxypyrimidin-5-yl)boronic acid
PubChem CID171760230
Molecular FormulaC7H9BN2O3
Molecular Weight179.97 g/mol
Exact Mass180.07
IUPAC Name(4-cyclopropyloxypyrimidin-5-yl)boronic acid
SMILESOB(O)c1cncnc1OC1CC1
InChIInChI=1S/C7H9BN2O3/c11-8(12)6-3-9-4-10-7(6)13-5-1-2-5/h3-5,11-12H,1-2H2
InChIKeyXUTOQVKUOCRQFM-UHFFFAOYSA-N
XLogP-1.30
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.97
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4-cyclopropyloxypyrimidin-5-yl)boronic acid 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 (4-cyclopropyloxypyrimidin-5-yl)boronic acid?
The IUPAC name of (4-cyclopropyloxypyrimidin-5-yl)boronic acid (CID 171760230) is (4-cyclopropyloxypyrimidin-5-yl)boronic acid.
What is the SMILES notation for (4-cyclopropyloxypyrimidin-5-yl)boronic acid?
The canonical SMILES for (4-cyclopropyloxypyrimidin-5-yl)boronic acid is OB(O)c1cncnc1OC1CC1.
What is the InChIKey of (4-cyclopropyloxypyrimidin-5-yl)boronic acid?
The InChIKey is XUTOQVKUOCRQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BN2O3/c11-8(12)6-3-9-4-10-7(6)13-5-1-2-5/h3-5,11-12H,1-2H2.
What are the key properties of (4-cyclopropyloxypyrimidin-5-yl)boronic acid?
(4-cyclopropyloxypyrimidin-5-yl)boronic acid has a molecular weight of 179.97 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxypyrimidin-5-yl)boronic acid is sourced from PubChem (CID 171760230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).