5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one

C10H15BrN2O2 — CID 116705910

IUPAC5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15BrN2O2/c1-4-15-8(6(2)3)9-12-5-7(11)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,12,13,14)
InChIKeyOVYSXRXQTOHVTP-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.27
Rot. Bonds4

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

5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 116705910) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID116705910
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15BrN2O2/c1-4-15-8(6(2)3)9-12-5-7(11)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,12,13,14)
InChIKeyOVYSXRXQTOHVTP-UHFFFAOYSA-N
XLogP2.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
CID 66314491
5-bromo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66314911
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-(ethoxymethyl)pyrimidin-4-ol
CID 66316575
5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077875
5-bromo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202712
5-bromo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616510
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79666747
5-bromo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79668921
5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837856
5-bromo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one (CID 116705910) is 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one is CCOC(c1ncc(Br)c(=O)[nH]1)C(C)C.
What is the InChIKey of 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is OVYSXRXQTOHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-4-15-8(6(2)3)9-12-5-7(11)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 275.15 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).