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

C9H14BN3O3 — CID 130120199

IUPAC(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
SMILESCc1nc(N2CCOCC2)ncc1B(O)O
InChIInChI=1S/C9H14BN3O3/c1-7-8(10(14)15)6-11-9(12-7)13-2-4-16-5-3-13/h6,14-15H,2-5H2,1H3
InChIKeyNKIDMRMKWUNRMD-UHFFFAOYSA-N
MW223.04 g/mol
LogP-1.70
Rot. Bonds2

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

(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid (PubChem CID 130120199) has the molecular formula C9H14BN3O3 and a molecular weight of 223.04 g/mol. Its IUPAC name is (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid.

Molecular Properties

Compound Name(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
PubChem CID130120199
Molecular FormulaC9H14BN3O3
Molecular Weight223.04 g/mol
Exact Mass223.11
IUPAC Name(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
SMILESCc1nc(N2CCOCC2)ncc1B(O)O
InChIInChI=1S/C9H14BN3O3/c1-7-8(10(14)15)6-11-9(12-7)13-2-4-16-5-3-13/h6,14-15H,2-5H2,1H3
InChIKeyNKIDMRMKWUNRMD-UHFFFAOYSA-N
XLogP-1.70
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methyl-2-morpholin-4-ylpyrimidin-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-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
The IUPAC name of (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid (CID 130120199) is (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid.
What is the SMILES notation for (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
The canonical SMILES for (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid is Cc1nc(N2CCOCC2)ncc1B(O)O.
What is the InChIKey of (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
The InChIKey is NKIDMRMKWUNRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN3O3/c1-7-8(10(14)15)6-11-9(12-7)13-2-4-16-5-3-13/h6,14-15H,2-5H2,1H3.
What are the key properties of (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid?
(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid has a molecular weight of 223.04 g/mol, XLogP of -1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid is sourced from PubChem (CID 130120199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).