5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione

C6H7BrN2O3 — CID 83866877

IUPAC5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CCO)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O3/c7-4-3(1-2-10)8-6(12)9-5(4)11/h10H,1-2H2,(H2,8,9,11,12)
InChIKeyJZRKBGBGCIBRSC-UHFFFAOYSA-N
MW235.04 g/mol
LogP-0.64
Rot. Bonds2

About 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione

5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 83866877) has the molecular formula C6H7BrN2O3 and a molecular weight of 235.04 g/mol. Its IUPAC name is 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID83866877
Molecular FormulaC6H7BrN2O3
Molecular Weight235.04 g/mol
Exact Mass233.96
IUPAC Name5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CCO)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O3/c7-4-3(1-2-10)8-6(12)9-5(4)11/h10H,1-2H2,(H2,8,9,11,12)
InChIKeyJZRKBGBGCIBRSC-UHFFFAOYSA-N
XLogP-0.64
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-ethyl-2,4(1H,3H)pyrimidinedione
CID 13384065
2-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 82665183

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione (CID 83866877) is 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(CCO)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JZRKBGBGCIBRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3/c7-4-3(1-2-10)8-6(12)9-5(4)11/h10H,1-2H2,(H2,8,9,11,12).
What are the key properties of 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione?
5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 235.04 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83866877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).