5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine

C12H10BrClN2O2 — CID 114071639

IUPAC5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
SMILESCOCc1cccc(Oc2ncnc(Cl)c2Br)c1
InChIInChI=1S/C12H10BrClN2O2/c1-17-6-8-3-2-4-9(5-8)18-12-10(13)11(14)15-7-16-12/h2-5,7H,6H2,1H3
InChIKeyDENRPBQOKSQDNU-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine

5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine (PubChem CID 114071639) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
PubChem CID114071639
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
SMILESCOCc1cccc(Oc2ncnc(Cl)c2Br)c1
InChIInChI=1S/C12H10BrClN2O2/c1-17-6-8-3-2-4-9(5-8)18-12-10(13)11(14)15-7-16-12/h2-5,7H,6H2,1H3
InChIKeyDENRPBQOKSQDNU-UHFFFAOYSA-N
XLogP3.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine 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

5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
4-[3-(methoxymethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222870
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
CID 114071649
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
CID 115928514
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine (CID 114071639) is 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine is COCc1cccc(Oc2ncnc(Cl)c2Br)c1.
What is the InChIKey of 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine?
The InChIKey is DENRPBQOKSQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-17-6-8-3-2-4-9(5-8)18-12-10(13)11(14)15-7-16-12/h2-5,7H,6H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine?
5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine has a molecular weight of 329.58 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine is sourced from PubChem (CID 114071639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).