5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one

C6H7BrN2O3 — CID 114676175

IUPAC5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCO)c1Br
InChIInChI=1S/C6H7BrN2O3/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11)
InChIKeyUWFGMHCCGCPFLX-UHFFFAOYSA-N
MW235.04 g/mol
LogP-0.10
Rot. Bonds3

About 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one

5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one (PubChem CID 114676175) has the molecular formula C6H7BrN2O3 and a molecular weight of 235.04 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
PubChem CID114676175
Molecular FormulaC6H7BrN2O3
Molecular Weight235.04 g/mol
Exact Mass233.96
IUPAC Name5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCO)c1Br
InChIInChI=1S/C6H7BrN2O3/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11)
InChIKeyUWFGMHCCGCPFLX-UHFFFAOYSA-N
XLogP-0.10
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one (CID 114676175) is 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCO)c1Br.
What is the InChIKey of 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is UWFGMHCCGCPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11).
What are the key properties of 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 235.04 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).