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

C7H8BrClN2 — CID 24903876

IUPAC5-bromo-4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(Cl)c1Br
InChIInChI=1S/C7H8BrClN2/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3
InChIKeyZOLRNOSZSJHRBM-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.02
Rot. Bonds1

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

5-bromo-4-chloro-6-propan-2-ylpyrimidine (PubChem CID 24903876) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-ylpyrimidine
PubChem CID24903876
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name5-bromo-4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(Cl)c1Br
InChIInChI=1S/C7H8BrClN2/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3
InChIKeyZOLRNOSZSJHRBM-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-chloro-6-methylpyrimidine
CID 4077921
4,5-Dichloro-6-ethylpyrimidine
CID 11137668
4-Chloro-6-ethyl-5-fluoropyrimidine
CID 16743445
4-Chloro-6-(propan-2-yl)pyrimidine
CID 22308480
4-Chloro-6-(1,1-dimethylethyl)pyrimidine
CID 4289243
4-(1-Bromoethyl)-6-chloro-5-fluoropyrimidine
CID 10911633
4,5-Dichloro-6-isopropylpyrimidine
CID 19371731
5-Bromo-4-chloro-6-ethylpyrimidine
CID 21252672
5-Bromo-4-chloro-6-cyclopropylpyrimidine
CID 24903882
5-Bromo-4-isopropylpyrimidine
CID 26370006
4-Bromo-6-(propan-2-yl)pyrimidine
CID 45788053
4-Chloro-5-ethyl-6-methylpyrimidine
CID 61252025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-ylpyrimidine (CID 24903876) is 5-bromo-4-chloro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-ylpyrimidine is CC(C)c1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-ylpyrimidine?
The InChIKey is ZOLRNOSZSJHRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-6-propan-2-ylpyrimidine has a molecular weight of 235.51 g/mol, XLogP of 3.02, 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-6-propan-2-ylpyrimidine is sourced from PubChem (CID 24903876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).