4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine

C14H6Br2Cl2N2O — CID 65430083

IUPAC4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine
SMILESClc1nc(-c2cc(Br)c(Br)o2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C14H6Br2Cl2N2O/c15-8-6-9(21-11(8)16)14-19-12(17)10(13(18)20-14)7-4-2-1-3-5-7/h1-6H
InChIKeyXGHRLJKLUJDHMF-UHFFFAOYSA-N
MW448.93 g/mol
LogP6.24
Rot. Bonds2

About 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine

4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine (PubChem CID 65430083) has the molecular formula C14H6Br2Cl2N2O and a molecular weight of 448.93 g/mol. Its IUPAC name is 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine
PubChem CID65430083
Molecular FormulaC14H6Br2Cl2N2O
Molecular Weight448.93 g/mol
Exact Mass445.82
IUPAC Name4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine
SMILESClc1nc(-c2cc(Br)c(Br)o2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C14H6Br2Cl2N2O/c15-8-6-9(21-11(8)16)14-19-12(17)10(13(18)20-14)7-4-2-1-3-5-7/h1-6H
InChIKeyXGHRLJKLUJDHMF-UHFFFAOYSA-N
XLogP6.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine (CID 65430083) is 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine is Clc1nc(-c2cc(Br)c(Br)o2)nc(Cl)c1-c1ccccc1.
What is the InChIKey of 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine?
The InChIKey is XGHRLJKLUJDHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2Cl2N2O/c15-8-6-9(21-11(8)16)14-19-12(17)10(13(18)20-14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine?
4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine has a molecular weight of 448.93 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine is sourced from PubChem (CID 65430083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).