5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine

C16H11BrClN3 — CID 81308439

IUPAC5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(Br)c(-c3ccccc3)n2)nc1
InChIInChI=1S/C16H11BrClN3/c1-10-7-8-12(19-9-10)16-20-14(13(17)15(18)21-16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVGXCQVWIMRHYQQ-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.93
Rot. Bonds2

About 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine

5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine (PubChem CID 81308439) has the molecular formula C16H11BrClN3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine
PubChem CID81308439
Molecular FormulaC16H11BrClN3
Molecular Weight360.64 g/mol
Exact Mass358.98
IUPAC Name5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(Br)c(-c3ccccc3)n2)nc1
InChIInChI=1S/C16H11BrClN3/c1-10-7-8-12(19-9-10)16-20-14(13(17)15(18)21-16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVGXCQVWIMRHYQQ-UHFFFAOYSA-N
XLogP4.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine (CID 81308439) is 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine is Cc1ccc(-c2nc(Cl)c(Br)c(-c3ccccc3)n2)nc1.
What is the InChIKey of 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine?
The InChIKey is VGXCQVWIMRHYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3/c1-10-7-8-12(19-9-10)16-20-14(13(17)15(18)21-16)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine?
5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine has a molecular weight of 360.64 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine is sourced from PubChem (CID 81308439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).