5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C5H5BrN2O2 — CID 3264667

IUPAC5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H5BrN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChIKeyBROYZQSAVGDLBG-UHFFFAOYSA-N
MW205.01 g/mol
LogP0.55
Rot. Bonds

About 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 3264667) has the molecular formula C5H5BrN2O2 and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID3264667
Molecular FormulaC5H5BrN2O2
Molecular Weight205.01 g/mol
Exact Mass203.95
IUPAC Name5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H5BrN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChIKeyBROYZQSAVGDLBG-UHFFFAOYSA-N
XLogP0.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 3264667) is 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BROYZQSAVGDLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10).
What are the key properties of 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 205.01 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3264667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).