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

C14H12BrCl2IN2 — CID 115565778

IUPAC2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccc(Cl)c(Br)c2)nc(Cl)c1I
InChIInChI=1S/C14H12BrCl2IN2/c1-7(2)5-11-12(18)13(17)20-14(19-11)8-3-4-10(16)9(15)6-8/h3-4,6-7H,5H2,1-2H3
InChIKeyQRLXCFXJUNPXAL-UHFFFAOYSA-N
MW485.98 g/mol
LogP6.02
Rot. Bonds3

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

2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine (PubChem CID 115565778) has the molecular formula C14H12BrCl2IN2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
PubChem CID115565778
Molecular FormulaC14H12BrCl2IN2
Molecular Weight485.98 g/mol
Exact Mass483.86
IUPAC Name2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccc(Cl)c(Br)c2)nc(Cl)c1I
InChIInChI=1S/C14H12BrCl2IN2/c1-7(2)5-11-12(18)13(17)20-14(19-11)8-3-4-10(16)9(15)6-8/h3-4,6-7H,5H2,1-2H3
InChIKeyQRLXCFXJUNPXAL-UHFFFAOYSA-N
XLogP6.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.98
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
2-(4-bromo-3-chlorophenyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 114077143
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 102842723
2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 105410505
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003
2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 107537899
2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
CID 81436468
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine (CID 115565778) is 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(-c2ccc(Cl)c(Br)c2)nc(Cl)c1I.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The InChIKey is QRLXCFXJUNPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2IN2/c1-7(2)5-11-12(18)13(17)20-14(19-11)8-3-4-10(16)9(15)6-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine has a molecular weight of 485.98 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 115565778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).