5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C10H14BrN3O3 — CID 79667083

IUPAC5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2nc(O)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C10H14BrN3O3/c1-2-14-3-4-17-6(5-14)8-12-9(15)7(11)10(16)13-8/h6H,2-5H2,1H3,(H2,12,13,15,16)
InChIKeyASDIWRBCUDQGNL-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.63
Rot. Bonds2

About 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79667083) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79667083
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2nc(O)c(Br)c(=O)[nH]2)C1
InChIInChI=1S/C10H14BrN3O3/c1-2-14-3-4-17-6(5-14)8-12-9(15)7(11)10(16)13-8/h6H,2-5H2,1H3,(H2,12,13,15,16)
InChIKeyASDIWRBCUDQGNL-UHFFFAOYSA-N
XLogP0.63
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 79667083) is 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CCN1CCOC(c2nc(O)c(Br)c(=O)[nH]2)C1.
What is the InChIKey of 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ASDIWRBCUDQGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-2-14-3-4-17-6(5-14)8-12-9(15)7(11)10(16)13-8/h6H,2-5H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 304.14 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79667083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).