5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one

C11H16BrN3O2 — CID 79183082

IUPAC5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCCN1CCOC(Cn2cncc(Br)c2=O)C1
InChIInChI=1S/C11H16BrN3O2/c1-2-14-3-4-17-9(6-14)7-15-8-13-5-10(12)11(15)16/h5,8-9H,2-4,6-7H2,1H3
InChIKeyOYMKSPXMWBQJKM-UHFFFAOYSA-N
MW302.17 g/mol
LogP0.73
Rot. Bonds3

About 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one

5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 79183082) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID79183082
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCCN1CCOC(Cn2cncc(Br)c2=O)C1
InChIInChI=1S/C11H16BrN3O2/c1-2-14-3-4-17-9(6-14)7-15-8-13-5-10(12)11(15)16/h5,8-9H,2-4,6-7H2,1H3
InChIKeyOYMKSPXMWBQJKM-UHFFFAOYSA-N
XLogP0.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 79183082) is 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one is CCN1CCOC(Cn2cncc(Br)c2=O)C1.
What is the InChIKey of 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is OYMKSPXMWBQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-2-14-3-4-17-9(6-14)7-15-8-13-5-10(12)11(15)16/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 302.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 79183082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).