5-(4-bromophenoxy)-1H-pyrimidin-2-one

C10H7BrN2O2 — CID 12661834

IUPAC5-(4-bromophenoxy)-1H-pyrimidin-2-one
SMILESO=c1ncc(Oc2ccc(Br)cc2)c[nH]1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)15-9-5-12-10(14)13-6-9/h1-6H,(H,12,13,14)
InChIKeySDLMVVSRLRUSTA-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.32
Rot. Bonds2

About 5-(4-bromophenoxy)-1H-pyrimidin-2-one

5-(4-bromophenoxy)-1H-pyrimidin-2-one (PubChem CID 12661834) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 5-(4-bromophenoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-bromophenoxy)-1H-pyrimidin-2-one
PubChem CID12661834
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name5-(4-bromophenoxy)-1H-pyrimidin-2-one
SMILESO=c1ncc(Oc2ccc(Br)cc2)c[nH]1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)15-9-5-12-10(14)13-6-9/h1-6H,(H,12,13,14)
InChIKeySDLMVVSRLRUSTA-UHFFFAOYSA-N
XLogP2.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-bromophenoxy)-1H-pyrimidin-2-one (CID 12661834) is 5-(4-bromophenoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-bromophenoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-bromophenoxy)-1H-pyrimidin-2-one is O=c1ncc(Oc2ccc(Br)cc2)c[nH]1.
What is the InChIKey of 5-(4-bromophenoxy)-1H-pyrimidin-2-one?
The InChIKey is SDLMVVSRLRUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)15-9-5-12-10(14)13-6-9/h1-6H,(H,12,13,14).
What are the key properties of 5-(4-bromophenoxy)-1H-pyrimidin-2-one?
5-(4-bromophenoxy)-1H-pyrimidin-2-one has a molecular weight of 267.08 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 12661834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).