4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine

C10H3Br3F2N2 — CID 107537902

IUPAC4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2nc(Br)cc(Br)n2)c(Br)c1F
InChIInChI=1S/C10H3Br3F2N2/c11-6-3-7(12)17-10(16-6)4-1-2-5(14)9(15)8(4)13/h1-3H
InChIKeyTXEIGNAIXNWPGO-UHFFFAOYSA-N
MW428.86 g/mol
LogP4.71
Rot. Bonds1

About 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine

4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine (PubChem CID 107537902) has the molecular formula C10H3Br3F2N2 and a molecular weight of 428.86 g/mol. Its IUPAC name is 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
PubChem CID107537902
Molecular FormulaC10H3Br3F2N2
Molecular Weight428.86 g/mol
Exact Mass425.78
IUPAC Name4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2nc(Br)cc(Br)n2)c(Br)c1F
InChIInChI=1S/C10H3Br3F2N2/c11-6-3-7(12)17-10(16-6)4-1-2-5(14)9(15)8(4)13/h1-3H
InChIKeyTXEIGNAIXNWPGO-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
CID 107539770
2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107539789
2-(2-bromo-3,4-difluorophenyl)pyrimidine-4-carbaldehyde
CID 107540895
2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 107539712
2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107539786
3-(2-bromo-3,4-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 107541096
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 107539893
2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde
CID 107540897
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 107539759
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107537161
2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 107532954
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107539760

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine?
The IUPAC name of 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine (CID 107537902) is 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine is Fc1ccc(-c2nc(Br)cc(Br)n2)c(Br)c1F.
What is the InChIKey of 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine?
The InChIKey is TXEIGNAIXNWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Br3F2N2/c11-6-3-7(12)17-10(16-6)4-1-2-5(14)9(15)8(4)13/h1-3H.
What are the key properties of 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine?
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine has a molecular weight of 428.86 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine is sourced from PubChem (CID 107537902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).