5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one

C8H10BrN3O3 — CID 66285553

IUPAC5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCOCC2)nc(O)c1Br
InChIInChI=1S/C8H10BrN3O3/c9-5-6(13)10-8(11-7(5)14)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
InChIKeyTZDLESCPAWEAGV-UHFFFAOYSA-N
MW276.09 g/mol
LogP0.07
Rot. Bonds1

About 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 66285553) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID66285553
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Name5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCOCC2)nc(O)c1Br
InChIInChI=1S/C8H10BrN3O3/c9-5-6(13)10-8(11-7(5)14)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
InChIKeyTZDLESCPAWEAGV-UHFFFAOYSA-N
XLogP0.07
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 66285553) is 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCOCC2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is TZDLESCPAWEAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c9-5-6(13)10-8(11-7(5)14)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 276.09 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66285553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).