[2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid

C11H18BN3O3 — CID 142540652

IUPAC[2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid
SMILESCC(C)[C@@H]1CN(c2ncc(B(O)O)cn2)CCO1
InChIInChI=1S/C11H18BN3O3/c1-8(2)10-7-15(3-4-18-10)11-13-5-9(6-14-11)12(16)17/h5-6,8,10,16-17H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyZKIZIEVFLRIKPO-JTQLQIEISA-N
MW251.09 g/mol
LogP-0.98
Rot. Bonds3

About [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid

[2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid (PubChem CID 142540652) has the molecular formula C11H18BN3O3 and a molecular weight of 251.09 g/mol. Its IUPAC name is [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid.

Molecular Properties

Compound Name[2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid
PubChem CID142540652
Molecular FormulaC11H18BN3O3
Molecular Weight251.09 g/mol
Exact Mass251.14
IUPAC Name[2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid
SMILESCC(C)[C@@H]1CN(c2ncc(B(O)O)cn2)CCO1
InChIInChI=1S/C11H18BN3O3/c1-8(2)10-7-15(3-4-18-10)11-13-5-9(6-14-11)12(16)17/h5-6,8,10,16-17H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyZKIZIEVFLRIKPO-JTQLQIEISA-N
XLogP-0.98
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 5-0.98
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-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid?
The IUPAC name of [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid (CID 142540652) is [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid.
What is the SMILES notation for [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid?
The canonical SMILES for [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid is CC(C)[C@@H]1CN(c2ncc(B(O)O)cn2)CCO1.
What is the InChIKey of [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid?
The InChIKey is ZKIZIEVFLRIKPO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18BN3O3/c1-8(2)10-7-15(3-4-18-10)11-13-5-9(6-14-11)12(16)17/h5-6,8,10,16-17H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid?
[2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid has a molecular weight of 251.09 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-propan-2-ylmorpholin-4-yl]pyrimidin-5-yl]boronic acid is sourced from PubChem (CID 142540652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).