4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine

C13H19BrN4O — CID 890559

IUPAC4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine
SMILESBrc1cnc(N2CCCCC2)nc1N1CCOCC1
InChIInChI=1S/C13H19BrN4O/c14-11-10-15-13(18-4-2-1-3-5-18)16-12(11)17-6-8-19-9-7-17/h10H,1-9H2
InChIKeyXQANCKWVNBQZJI-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.07
Rot. Bonds2

About 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine

4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 890559) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID890559
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine
SMILESBrc1cnc(N2CCCCC2)nc1N1CCOCC1
InChIInChI=1S/C13H19BrN4O/c14-11-10-15-13(18-4-2-1-3-5-18)16-12(11)17-6-8-19-9-7-17/h10H,1-9H2
InChIKeyXQANCKWVNBQZJI-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine (CID 890559) is 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine is Brc1cnc(N2CCCCC2)nc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is XQANCKWVNBQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c14-11-10-15-13(18-4-2-1-3-5-18)16-12(11)17-6-8-19-9-7-17/h10H,1-9H2.
What are the key properties of 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine?
4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 327.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 890559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).