5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

C9H11BrN2O2 — CID 116705914

IUPAC5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11BrN2O2/c1-14-7(5-2-3-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyRNTWVVUBAFNUEE-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.63
Rot. Bonds3

About 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116705914) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116705914
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C9H11BrN2O2/c1-14-7(5-2-3-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyRNTWVVUBAFNUEE-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2-(oxolan-2-yl)pyrimidin-4-ol
CID 66315120
5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 66316362
5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
CID 66316576
5-bromo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616510
5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837856
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705569
5-bromo-2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705745
5-bromo-2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705753
5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705906
5-bromo-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705907
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705908

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 116705914) is 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1ncc(Br)c(=O)[nH]1)C1CC1.
What is the InChIKey of 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is RNTWVVUBAFNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-14-7(5-2-3-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 259.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116705914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).