5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one

C10H13BrN2O2 — CID 80691238

IUPAC5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2ncc(Br)c(=O)[nH]2)CCCCO1
InChIInChI=1S/C10H13BrN2O2/c1-10(4-2-3-5-15-10)9-12-6-7(11)8(14)13-9/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyUGTBMBLPPLLNEB-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.95
Rot. Bonds1

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

5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 80691238) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
PubChem CID80691238
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2ncc(Br)c(=O)[nH]2)CCCCO1
InChIInChI=1S/C10H13BrN2O2/c1-10(4-2-3-5-15-10)9-12-6-7(11)8(14)13-9/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyUGTBMBLPPLLNEB-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (CID 80691238) is 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is CC1(c2ncc(Br)c(=O)[nH]2)CCCCO1.
What is the InChIKey of 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UGTBMBLPPLLNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(4-2-3-5-15-10)9-12-6-7(11)8(14)13-9/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 273.13 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80691238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).