2,5-bis(4-bromophenyl)pyrimidine

C16H10Br2N2 — CID 14089893

IUPAC2,5-bis(4-bromophenyl)pyrimidine
SMILESBrc1ccc(-c2cnc(-c3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C16H10Br2N2/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H
InChIKeyCWNWIRGWIJDSSR-UHFFFAOYSA-N
MW390.08 g/mol
LogP5.34
Rot. Bonds2

About 2,5-bis(4-bromophenyl)pyrimidine

2,5-bis(4-bromophenyl)pyrimidine (PubChem CID 14089893) has the molecular formula C16H10Br2N2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 2,5-bis(4-bromophenyl)pyrimidine.

Molecular Properties

Compound Name2,5-bis(4-bromophenyl)pyrimidine
PubChem CID14089893
Molecular FormulaC16H10Br2N2
Molecular Weight390.08 g/mol
Exact Mass387.92
IUPAC Name2,5-bis(4-bromophenyl)pyrimidine
SMILESBrc1ccc(-c2cnc(-c3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C16H10Br2N2/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H
InChIKeyCWNWIRGWIJDSSR-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 2,5-bis(4-bromophenyl)pyrimidine?
The IUPAC name of 2,5-bis(4-bromophenyl)pyrimidine (CID 14089893) is 2,5-bis(4-bromophenyl)pyrimidine.
What is the SMILES notation for 2,5-bis(4-bromophenyl)pyrimidine?
The canonical SMILES for 2,5-bis(4-bromophenyl)pyrimidine is Brc1ccc(-c2cnc(-c3ccc(Br)cc3)nc2)cc1.
What is the InChIKey of 2,5-bis(4-bromophenyl)pyrimidine?
The InChIKey is CWNWIRGWIJDSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H.
What are the key properties of 2,5-bis(4-bromophenyl)pyrimidine?
2,5-bis(4-bromophenyl)pyrimidine 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 2,5-bis(4-bromophenyl)pyrimidine is sourced from PubChem (CID 14089893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).