5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

C10H14BrN3O2 — CID 66309137

IUPAC5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCN1CCOCC1
InChIInChI=1S/C10H14BrN3O2/c11-9-7-12-8-14(10(9)15)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyGCUVUUGMMASSDD-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.34
Rot. Bonds3

About 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 66309137) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID66309137
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCN1CCOCC1
InChIInChI=1S/C10H14BrN3O2/c11-9-7-12-8-14(10(9)15)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyGCUVUUGMMASSDD-UHFFFAOYSA-N
XLogP0.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 66309137) is 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is O=c1c(Br)cncn1CCN1CCOCC1.
What is the InChIKey of 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is GCUVUUGMMASSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-9-7-12-8-14(10(9)15)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2.
What are the key properties of 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 288.14 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).