2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one

C13H13BrN2O2 — CID 136774541

IUPAC2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cc(OC)ccc2Br)n1
InChIInChI=1S/C13H13BrN2O2/c1-3-8-6-12(17)16-13(15-8)10-7-9(18-2)4-5-11(10)14/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyUVBAVXRLXCFMMO-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one

2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136774541) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136774541
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cc(OC)ccc2Br)n1
InChIInChI=1S/C13H13BrN2O2/c1-3-8-6-12(17)16-13(15-8)10-7-9(18-2)4-5-11(10)14/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyUVBAVXRLXCFMMO-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenyl)-4-ethyl-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

Related Compounds

2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774549
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 137012354
2-(3-bromo-2-pyridinyl)-4-ethyl-1H-pyrimidin-6-one
CID 136715411
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136683043
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
CID 135763942
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one (CID 136774541) is 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2cc(OC)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is UVBAVXRLXCFMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-3-8-6-12(17)16-13(15-8)10-7-9(18-2)4-5-11(10)14/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 309.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).