4-[(3,4-dibromophenyl)methyl]pyrimidine

C11H8Br2N2 — CID 174952380

IUPAC4-[(3,4-dibromophenyl)methyl]pyrimidine
SMILESBrc1ccc(Cc2ccncn2)cc1Br
InChIInChI=1S/C11H8Br2N2/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-15-9/h1-4,6-7H,5H2
InChIKeyZKBAGKGBNFWBDR-UHFFFAOYSA-N
MW328.01 g/mol
LogP3.59
Rot. Bonds2

About 4-[(3,4-dibromophenyl)methyl]pyrimidine

4-[(3,4-dibromophenyl)methyl]pyrimidine (PubChem CID 174952380) has the molecular formula C11H8Br2N2 and a molecular weight of 328.01 g/mol. Its IUPAC name is 4-[(3,4-dibromophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-[(3,4-dibromophenyl)methyl]pyrimidine
PubChem CID174952380
Molecular FormulaC11H8Br2N2
Molecular Weight328.01 g/mol
Exact Mass325.91
IUPAC Name4-[(3,4-dibromophenyl)methyl]pyrimidine
SMILESBrc1ccc(Cc2ccncn2)cc1Br
InChIInChI=1S/C11H8Br2N2/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-15-9/h1-4,6-7H,5H2
InChIKeyZKBAGKGBNFWBDR-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.01
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dibromophenyl)methyl]pyrimidine?
The IUPAC name of 4-[(3,4-dibromophenyl)methyl]pyrimidine (CID 174952380) is 4-[(3,4-dibromophenyl)methyl]pyrimidine.
What is the SMILES notation for 4-[(3,4-dibromophenyl)methyl]pyrimidine?
The canonical SMILES for 4-[(3,4-dibromophenyl)methyl]pyrimidine is Brc1ccc(Cc2ccncn2)cc1Br.
What is the InChIKey of 4-[(3,4-dibromophenyl)methyl]pyrimidine?
The InChIKey is ZKBAGKGBNFWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-15-9/h1-4,6-7H,5H2.
What are the key properties of 4-[(3,4-dibromophenyl)methyl]pyrimidine?
4-[(3,4-dibromophenyl)methyl]pyrimidine has a molecular weight of 328.01 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dibromophenyl)methyl]pyrimidine is sourced from PubChem (CID 174952380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).