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

C9H11BrN2O3 — CID 116705746

IUPAC5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCC1
InChIInChI=1S/C9H11BrN2O3/c1-15-9(3-2-4-9)8-11-6(13)5(10)7(14)12-8/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyLQIVNDZUONXVOI-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.26
Rot. Bonds2

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

5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 116705746) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID116705746
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCC1
InChIInChI=1S/C9H11BrN2O3/c1-15-9(3-2-4-9)8-11-6(13)5(10)7(14)12-8/h2-4H2,1H3,(H2,11,12,13,14)
InChIKeyLQIVNDZUONXVOI-UHFFFAOYSA-N
XLogP1.26
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 116705746) is 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2nc(O)c(Br)c(=O)[nH]2)CCC1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is LQIVNDZUONXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-15-9(3-2-4-9)8-11-6(13)5(10)7(14)12-8/h2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 275.10 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).