4,5-dibromo-2,6-diphenylpyrimidine

C16H10Br2N2 — CID 1023869

IUPAC4,5-dibromo-2,6-diphenylpyrimidine
SMILESBrc1nc(-c2ccccc2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H10Br2N2/c17-13-14(11-7-3-1-4-8-11)19-16(20-15(13)18)12-9-5-2-6-10-12/h1-10H
InChIKeyGSCMITZZYYFEGP-UHFFFAOYSA-N
MW390.08 g/mol
LogP5.34
Rot. Bonds2

About 4,5-dibromo-2,6-diphenylpyrimidine

4,5-dibromo-2,6-diphenylpyrimidine (PubChem CID 1023869) has the molecular formula C16H10Br2N2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 4,5-dibromo-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4,5-dibromo-2,6-diphenylpyrimidine
PubChem CID1023869
Molecular FormulaC16H10Br2N2
Molecular Weight390.08 g/mol
Exact Mass387.92
IUPAC Name4,5-dibromo-2,6-diphenylpyrimidine
SMILESBrc1nc(-c2ccccc2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H10Br2N2/c17-13-14(11-7-3-1-4-8-11)19-16(20-15(13)18)12-9-5-2-6-10-12/h1-10H
InChIKeyGSCMITZZYYFEGP-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.08
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2,6-diphenylpyrimidine?
The IUPAC name of 4,5-dibromo-2,6-diphenylpyrimidine (CID 1023869) is 4,5-dibromo-2,6-diphenylpyrimidine.
What is the SMILES notation for 4,5-dibromo-2,6-diphenylpyrimidine?
The canonical SMILES for 4,5-dibromo-2,6-diphenylpyrimidine is Brc1nc(-c2ccccc2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 4,5-dibromo-2,6-diphenylpyrimidine?
The InChIKey is GSCMITZZYYFEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2/c17-13-14(11-7-3-1-4-8-11)19-16(20-15(13)18)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,5-dibromo-2,6-diphenylpyrimidine?
4,5-dibromo-2,6-diphenylpyrimidine has a molecular weight of 390.08 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2,6-diphenylpyrimidine is sourced from PubChem (CID 1023869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).