5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine

C13H9BrCl2N2 — CID 66292054

IUPAC5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine
SMILESClc1cccc(-c2nc(Cl)c(Br)c(C3CC3)n2)c1
InChIInChI=1S/C13H9BrCl2N2/c14-10-11(7-4-5-7)17-13(18-12(10)16)8-2-1-3-9(15)6-8/h1-3,6-7H,4-5H2
InChIKeyGWBVGCKBDYTSCE-UHFFFAOYSA-N
MW344.04 g/mol
LogP5.09
Rot. Bonds2

About 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine

5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine (PubChem CID 66292054) has the molecular formula C13H9BrCl2N2 and a molecular weight of 344.04 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine
PubChem CID66292054
Molecular FormulaC13H9BrCl2N2
Molecular Weight344.04 g/mol
Exact Mass341.93
IUPAC Name5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine
SMILESClc1cccc(-c2nc(Cl)c(Br)c(C3CC3)n2)c1
InChIInChI=1S/C13H9BrCl2N2/c14-10-11(7-4-5-7)17-13(18-12(10)16)8-2-1-3-9(15)6-8/h1-3,6-7H,4-5H2
InChIKeyGWBVGCKBDYTSCE-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.04
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine (CID 66292054) is 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine is Clc1cccc(-c2nc(Cl)c(Br)c(C3CC3)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine?
The InChIKey is GWBVGCKBDYTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2/c14-10-11(7-4-5-7)17-13(18-12(10)16)8-2-1-3-9(15)6-8/h1-3,6-7H,4-5H2.
What are the key properties of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine?
5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine has a molecular weight of 344.04 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-chlorophenyl)-6-cyclopropylpyrimidine is sourced from PubChem (CID 66292054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).