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

C9H11BrN2O2 — CID 116705907

IUPAC5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(Br)c(=O)[nH]2)CCC1
InChIInChI=1S/C9H11BrN2O2/c1-14-9(3-2-4-9)8-11-5-6(10)7(13)12-8/h5H,2-4H2,1H3,(H,11,12,13)
InChIKeyNUTUJZKQNVTSIL-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.56
Rot. Bonds2

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

5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 116705907) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID116705907
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(Br)c(=O)[nH]2)CCC1
InChIInChI=1S/C9H11BrN2O2/c1-14-9(3-2-4-9)8-11-5-6(10)7(13)12-8/h5H,2-4H2,1H3,(H,11,12,13)
InChIKeyNUTUJZKQNVTSIL-UHFFFAOYSA-N
XLogP1.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202712
5-bromo-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167301
5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691238
5-bromo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609933
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705906
5-bromo-2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 116705909
5-bromo-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705911
5-bromo-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 116705913
5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705914
5-bromo-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 116705907) is 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2ncc(Br)c(=O)[nH]2)CCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is NUTUJZKQNVTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-14-9(3-2-4-9)8-11-5-6(10)7(13)12-8/h5H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 259.10 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).