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

C13H10BrCl2FN2 — CID 66311269

IUPAC5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)nc(Cl)c1Br
InChIInChI=1S/C13H10BrCl2FN2/c1-2-3-10-11(14)12(16)19-13(18-10)7-4-5-8(15)9(17)6-7/h4-6H,2-3H2,1H3
InChIKeyKNYZDVJKFHHVPZ-UHFFFAOYSA-N
MW364.05 g/mol
LogP5.30
Rot. Bonds3

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

5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine (PubChem CID 66311269) has the molecular formula C13H10BrCl2FN2 and a molecular weight of 364.05 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
PubChem CID66311269
Molecular FormulaC13H10BrCl2FN2
Molecular Weight364.05 g/mol
Exact Mass361.94
IUPAC Name5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc(Cl)c(F)c2)nc(Cl)c1Br
InChIInChI=1S/C13H10BrCl2FN2/c1-2-3-10-11(14)12(16)19-13(18-10)7-4-5-8(15)9(17)6-7/h4-6H,2-3H2,1H3
InChIKeyKNYZDVJKFHHVPZ-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.05
LogP ≤ 55.30
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-(4-chloro-3-fluorophenyl)-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine (CID 66311269) is 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine is CCCc1nc(-c2ccc(Cl)c(F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine?
The InChIKey is KNYZDVJKFHHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2FN2/c1-2-3-10-11(14)12(16)19-13(18-10)7-4-5-8(15)9(17)6-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine has a molecular weight of 364.05 g/mol, XLogP of 5.30, 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-(4-chloro-3-fluorophenyl)-6-propylpyrimidine is sourced from PubChem (CID 66311269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).