5-bromo-4,6-dichloro-2-cyclohexylpyrimidine

C10H11BrCl2N2 — CID 66317033

IUPAC5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
SMILESClc1nc(C2CCCCC2)nc(Cl)c1Br
InChIInChI=1S/C10H11BrCl2N2/c11-7-8(12)14-10(15-9(7)13)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUFBPXYWDDVQWGW-UHFFFAOYSA-N
MW310.02 g/mol
LogP4.59
Rot. Bonds1

About 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine

5-bromo-4,6-dichloro-2-cyclohexylpyrimidine (PubChem CID 66317033) has the molecular formula C10H11BrCl2N2 and a molecular weight of 310.02 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
PubChem CID66317033
Molecular FormulaC10H11BrCl2N2
Molecular Weight310.02 g/mol
Exact Mass307.95
IUPAC Name5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
SMILESClc1nc(C2CCCCC2)nc(Cl)c1Br
InChIInChI=1S/C10H11BrCl2N2/c11-7-8(12)14-10(15-9(7)13)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUFBPXYWDDVQWGW-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
5-bromo-4-chloro-2-cyclooctyl-6-propan-2-ylpyrimidine
CID 80603976
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143
5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
CID 66292583
5-bromo-4-chloro-2-cyclooctylpyrimidine
CID 80603225
2-chloro-4-cyclooctyl-6-cycloundecyl-1,3,5-triazine
CID 146635331
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66293541
4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
CID 65429518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine (CID 66317033) is 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine is Clc1nc(C2CCCCC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine?
The InChIKey is UFBPXYWDDVQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2/c11-7-8(12)14-10(15-9(7)13)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine?
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine has a molecular weight of 310.02 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-cyclohexylpyrimidine is sourced from PubChem (CID 66317033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).