5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

C11H17BrN4O — CID 63869496

IUPAC5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCOC2CCNCC2)nc1
InChIInChI=1S/C11H17BrN4O/c12-9-7-15-11(16-8-9)14-5-6-17-10-1-3-13-4-2-10/h7-8,10,13H,1-6H2,(H,14,15,16)
InChIKeyBALVJQGUPGLXHQ-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.42
Rot. Bonds5

About 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (PubChem CID 63869496) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
PubChem CID63869496
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCOC2CCNCC2)nc1
InChIInChI=1S/C11H17BrN4O/c12-9-7-15-11(16-8-9)14-5-6-17-10-1-3-13-4-2-10/h7-8,10,13H,1-6H2,(H,14,15,16)
InChIKeyBALVJQGUPGLXHQ-UHFFFAOYSA-N
XLogP1.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (CID 63869496) is 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is Brc1cnc(NCCOC2CCNCC2)nc1.
What is the InChIKey of 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The InChIKey is BALVJQGUPGLXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-7-15-11(16-8-9)14-5-6-17-10-1-3-13-4-2-10/h7-8,10,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 63869496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).