(2-morpholin-4-ylpyrimidin-5-yl)boronic acid

C8H12BN3O3 — CID 46864007

IUPAC(2-morpholin-4-ylpyrimidin-5-yl)boronic acid
SMILESOB(O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
InChIKeyKFYQOIHLZBDFBU-UHFFFAOYSA-N
MW209.01 g/mol
LogP-2.01
Rot. Bonds2

About (2-morpholin-4-ylpyrimidin-5-yl)boronic acid

(2-morpholin-4-ylpyrimidin-5-yl)boronic acid (PubChem CID 46864007) has the molecular formula C8H12BN3O3 and a molecular weight of 209.01 g/mol. Its IUPAC name is (2-morpholin-4-ylpyrimidin-5-yl)boronic acid.

Molecular Properties

Compound Name(2-morpholin-4-ylpyrimidin-5-yl)boronic acid
PubChem CID46864007
Molecular FormulaC8H12BN3O3
Molecular Weight209.01 g/mol
Exact Mass209.10
IUPAC Name(2-morpholin-4-ylpyrimidin-5-yl)boronic acid
SMILESOB(O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
InChIKeyKFYQOIHLZBDFBU-UHFFFAOYSA-N
XLogP-2.01
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.01
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
The IUPAC name of (2-morpholin-4-ylpyrimidin-5-yl)boronic acid (CID 46864007) is (2-morpholin-4-ylpyrimidin-5-yl)boronic acid.
What is the SMILES notation for (2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
The canonical SMILES for (2-morpholin-4-ylpyrimidin-5-yl)boronic acid is OB(O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of (2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
The InChIKey is KFYQOIHLZBDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2.
What are the key properties of (2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
(2-morpholin-4-ylpyrimidin-5-yl)boronic acid has a molecular weight of 209.01 g/mol, XLogP of -2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylpyrimidin-5-yl)boronic acid is sourced from PubChem (CID 46864007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).