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

C13H13BrN2O3 — CID 136774549

IUPAC2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2cc(OC)ccc2Br)n1
InChIInChI=1S/C13H13BrN2O3/c1-18-7-8-5-12(17)16-13(15-8)10-6-9(19-2)3-4-11(10)14/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyJFRNFUQKTULIJY-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.35
Rot. Bonds4

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

2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136774549) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136774549
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2cc(OC)ccc2Br)n1
InChIInChI=1S/C13H13BrN2O3/c1-18-7-8-5-12(17)16-13(15-8)10-6-9(19-2)3-4-11(10)14/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyJFRNFUQKTULIJY-UHFFFAOYSA-N
XLogP2.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-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-ethyl-1H-pyrimidin-6-one
CID 136774541
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373797
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine
CID 135630390
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136774549) is 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2cc(OC)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is JFRNFUQKTULIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-18-7-8-5-12(17)16-13(15-8)10-6-9(19-2)3-4-11(10)14/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 325.16 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136774549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).