5-bromo-4-chloro-2-cyclohexylpyrimidine

C10H12BrClN2 — CID 66292035

IUPAC5-bromo-4-chloro-2-cyclohexylpyrimidine
SMILESClc1nc(C2CCCCC2)ncc1Br
InChIInChI=1S/C10H12BrClN2/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyKWKXIZHBGFUREQ-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.94
Rot. Bonds1

About 5-bromo-4-chloro-2-cyclohexylpyrimidine

5-bromo-4-chloro-2-cyclohexylpyrimidine (PubChem CID 66292035) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-cyclohexylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-cyclohexylpyrimidine
PubChem CID66292035
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name5-bromo-4-chloro-2-cyclohexylpyrimidine
SMILESClc1nc(C2CCCCC2)ncc1Br
InChIInChI=1S/C10H12BrClN2/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyKWKXIZHBGFUREQ-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.94
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-cyclohexylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-cyclohexylpyrimidine (CID 66292035) is 5-bromo-4-chloro-2-cyclohexylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-cyclohexylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-cyclohexylpyrimidine is Clc1nc(C2CCCCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-chloro-2-cyclohexylpyrimidine?
The InChIKey is KWKXIZHBGFUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c11-8-6-13-10(14-9(8)12)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 5-bromo-4-chloro-2-cyclohexylpyrimidine?
5-bromo-4-chloro-2-cyclohexylpyrimidine has a molecular weight of 275.58 g/mol, XLogP of 3.94, 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-cyclohexylpyrimidine is sourced from PubChem (CID 66292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).