(2-aminopyrimidin-5-yl)boronic acid;ethanamine

C6H13BN4O2 — CID 171527121

IUPAC(2-aminopyrimidin-5-yl)boronic acid;ethanamine
SMILESCCN.Nc1ncc(B(O)O)cn1
InChIInChI=1S/C4H6BN3O2.C2H7N/c6-4-7-1-3(2-8-4)5(9)10;1-2-3/h1-2,9-10H,(H2,6,7,8);2-3H2,1H3
InChIKeyIDGUPOPWCXQJRF-UHFFFAOYSA-N
MW184.01 g/mol
LogP-2.30
Rot. Bonds1

About (2-aminopyrimidin-5-yl)boronic acid;ethanamine

(2-aminopyrimidin-5-yl)boronic acid;ethanamine (PubChem CID 171527121) has the molecular formula C6H13BN4O2 and a molecular weight of 184.01 g/mol. Its IUPAC name is (2-aminopyrimidin-5-yl)boronic acid;ethanamine.

Molecular Properties

Compound Name(2-aminopyrimidin-5-yl)boronic acid;ethanamine
PubChem CID171527121
Molecular FormulaC6H13BN4O2
Molecular Weight184.01 g/mol
Exact Mass184.11
IUPAC Name(2-aminopyrimidin-5-yl)boronic acid;ethanamine
SMILESCCN.Nc1ncc(B(O)O)cn1
InChIInChI=1S/C4H6BN3O2.C2H7N/c6-4-7-1-3(2-8-4)5(9)10;1-2-3/h1-2,9-10H,(H2,6,7,8);2-3H2,1H3
InChIKeyIDGUPOPWCXQJRF-UHFFFAOYSA-N
XLogP-2.30
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.01
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
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-aminopyrimidin-5-yl)boronic acid;ethanamine?
The IUPAC name of (2-aminopyrimidin-5-yl)boronic acid;ethanamine (CID 171527121) is (2-aminopyrimidin-5-yl)boronic acid;ethanamine.
What is the SMILES notation for (2-aminopyrimidin-5-yl)boronic acid;ethanamine?
The canonical SMILES for (2-aminopyrimidin-5-yl)boronic acid;ethanamine is CCN.Nc1ncc(B(O)O)cn1.
What is the InChIKey of (2-aminopyrimidin-5-yl)boronic acid;ethanamine?
The InChIKey is IDGUPOPWCXQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BN3O2.C2H7N/c6-4-7-1-3(2-8-4)5(9)10;1-2-3/h1-2,9-10H,(H2,6,7,8);2-3H2,1H3.
What are the key properties of (2-aminopyrimidin-5-yl)boronic acid;ethanamine?
(2-aminopyrimidin-5-yl)boronic acid;ethanamine has a molecular weight of 184.01 g/mol, XLogP of -2.30, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-5-yl)boronic acid;ethanamine is sourced from PubChem (CID 171527121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).