2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine

C12H8BrCl2IN2O — CID 113336859

IUPAC2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(Cl)c(Br)c2)nc(Cl)c1I
InChIInChI=1S/C12H8BrCl2IN2O/c1-19-5-9-10(16)11(15)18-12(17-9)6-2-3-8(14)7(13)4-6/h2-4H,5H2,1H3
InChIKeyBTYITNWTDLUKLF-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.96
Rot. Bonds3

About 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine

2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 113336859) has the molecular formula C12H8BrCl2IN2O and a molecular weight of 473.92 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID113336859
Molecular FormulaC12H8BrCl2IN2O
Molecular Weight473.92 g/mol
Exact Mass471.82
IUPAC Name2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(Cl)c(Br)c2)nc(Cl)c1I
InChIInChI=1S/C12H8BrCl2IN2O/c1-19-5-9-10(16)11(15)18-12(17-9)6-2-3-8(14)7(13)4-6/h2-4H,5H2,1H3
InChIKeyBTYITNWTDLUKLF-UHFFFAOYSA-N
XLogP4.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)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

4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 114077143
2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 106886187
2-(3-bromo-4-methylphenyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 105410474
4-chloro-5-iodo-6-(methoxymethyl)-2-(3-nitrophenyl)pyrimidine
CID 66292636

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine (CID 113336859) is 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine is COCc1nc(-c2ccc(Cl)c(Br)c2)nc(Cl)c1I.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is BTYITNWTDLUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2IN2O/c1-19-5-9-10(16)11(15)18-12(17-9)6-2-3-8(14)7(13)4-6/h2-4H,5H2,1H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 473.92 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 113336859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).