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

C6H7BrN2O2S — CID 114578900

IUPAC5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SCCO)c1Br
InChIInChI=1S/C6H7BrN2O2S/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11)
InChIKeyNIDOGRRLLYOSAO-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.62
Rot. Bonds3

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

5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114578900) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114578900
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SCCO)c1Br
InChIInChI=1S/C6H7BrN2O2S/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11)
InChIKeyNIDOGRRLLYOSAO-UHFFFAOYSA-N
XLogP0.62
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107771146
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573937
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 114573947
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)sulfanyl]acetic acid
CID 114573957
4-(2-hydroxyethylsulfanyl)-5-iodo-1H-pyrimidin-6-one
CID 114578901
5-bromo-4-(3-hydroxy-2-methylpropyl)sulfanyl-1H-pyrimidin-6-one
CID 114578910
5-bromo-4-(4-hydroxybutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114578920
5-bromo-4-(3-hydroxypropylsulfanyl)-1H-pyrimidin-6-one
CID 114578930
5-bromo-4-(2,3-dihydroxypropylsulfanyl)-1H-pyrimidin-6-one
CID 114578948
5-bromo-4-(1-hydroxypropan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 114578966
5-bromo-4-ethylsulfanyl-1H-pyrimidin-6-one
CID 114790935
5-bromo-4-propylsulfanyl-1H-pyrimidin-6-one
CID 114790941

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one (CID 114578900) is 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(SCCO)c1Br.
What is the InChIKey of 5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is NIDOGRRLLYOSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/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-hydroxyethylsulfanyl)-1H-pyrimidin-6-one?
5-bromo-4-(2-hydroxyethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 251.10 g/mol, XLogP of 0.62, 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-hydroxyethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).