5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine

C8H10BrClN2 — CID 24903878

IUPAC5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine
SMILESCc1nc(Cl)c(Br)c(C(C)C)n1
InChIInChI=1S/C8H10BrClN2/c1-4(2)7-6(9)8(10)12-5(3)11-7/h4H,1-3H3
InChIKeyKITTZBNBGDVZES-UHFFFAOYSA-N
MW249.54 g/mol
LogP3.32
Rot. Bonds1

About 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine (PubChem CID 24903878) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine
PubChem CID24903878
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine
SMILESCc1nc(Cl)c(Br)c(C(C)C)n1
InChIInChI=1S/C8H10BrClN2/c1-4(2)7-6(9)8(10)12-5(3)11-7/h4H,1-3H3
InChIKeyKITTZBNBGDVZES-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 53.32
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-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine (CID 24903878) is 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine is Cc1nc(Cl)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine?
The InChIKey is KITTZBNBGDVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2/c1-4(2)7-6(9)8(10)12-5(3)11-7/h4H,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-methyl-6-propan-2-ylpyrimidine has a molecular weight of 249.54 g/mol, XLogP of 3.32, 1 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-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 24903878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).