2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine

C12H9BrClIN2O — CID 66312627

IUPAC2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
SMILESCOc1ccc(Br)cc1-c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C12H9BrClIN2O/c1-6-10(15)11(14)17-12(16-6)8-5-7(13)3-4-9(8)18-2/h3-5H,1-2H3
InChIKeyKZGYYNKMLYRGLS-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.48
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine

2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine (PubChem CID 66312627) has the molecular formula C12H9BrClIN2O and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
PubChem CID66312627
Molecular FormulaC12H9BrClIN2O
Molecular Weight439.48 g/mol
Exact Mass437.86
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
SMILESCOc1ccc(Br)cc1-c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C12H9BrClIN2O/c1-6-10(15)11(14)17-12(16-6)8-5-7(13)3-4-9(8)18-2/h3-5H,1-2H3
InChIKeyKZGYYNKMLYRGLS-UHFFFAOYSA-N
XLogP4.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312236
4-chloro-5-iodo-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
CID 66311459
2-(5-bromo-2-chlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 114077251
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66294167

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine (CID 66312627) is 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine is COc1ccc(Br)cc1-c1nc(C)c(I)c(Cl)n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine?
The InChIKey is KZGYYNKMLYRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClIN2O/c1-6-10(15)11(14)17-12(16-6)8-5-7(13)3-4-9(8)18-2/h3-5H,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine?
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine has a molecular weight of 439.48 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 66312627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).