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

C13H11BrCl2N2 — CID 66291931

IUPAC5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2cccc(Cl)c2)nc(Cl)c1Br
InChIInChI=1S/C13H11BrCl2N2/c1-2-4-10-11(14)12(16)18-13(17-10)8-5-3-6-9(15)7-8/h3,5-7H,2,4H2,1H3
InChIKeyAZNJVPKCZJUFHI-UHFFFAOYSA-N
MW346.06 g/mol
LogP5.17
Rot. Bonds3

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

5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine (PubChem CID 66291931) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
PubChem CID66291931
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2cccc(Cl)c2)nc(Cl)c1Br
InChIInChI=1S/C13H11BrCl2N2/c1-2-4-10-11(14)12(16)18-13(17-10)8-5-3-6-9(15)7-8/h3,5-7H,2,4H2,1H3
InChIKeyAZNJVPKCZJUFHI-UHFFFAOYSA-N
XLogP5.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.06
LogP ≤ 55.17
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-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine (CID 66291931) is 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine is CCCc1nc(-c2cccc(Cl)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine?
The InChIKey is AZNJVPKCZJUFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-2-4-10-11(14)12(16)18-13(17-10)8-5-3-6-9(15)7-8/h3,5-7H,2,4H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine has a molecular weight of 346.06 g/mol, XLogP of 5.17, 3 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-propylpyrimidine is sourced from PubChem (CID 66291931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).