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

C10H13BrN2O2 — CID 116705906

IUPAC5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13BrN2O2/c1-2-15-8(6-3-4-6)9-12-5-7(11)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,12,13,14)
InChIKeyQYQZHVBWDIJNJR-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.02
Rot. Bonds4

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

5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116705906) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116705906
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13BrN2O2/c1-2-15-8(6-3-4-6)9-12-5-7(11)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,12,13,14)
InChIKeyQYQZHVBWDIJNJR-UHFFFAOYSA-N
XLogP2.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.02
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-(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-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705907
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705908
5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705910
5-bromo-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 116705906) is 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1ncc(Br)c(=O)[nH]1)C1CC1.
What is the InChIKey of 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is QYQZHVBWDIJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-15-8(6-3-4-6)9-12-5-7(11)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 273.13 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116705906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).