5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine

C13H18BrClN2 — CID 66292539

IUPAC5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
SMILESCCCc1nc(C2CCCCC2)nc(Cl)c1Br
InChIInChI=1S/C13H18BrClN2/c1-2-6-10-11(14)12(15)17-13(16-10)9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyIOTNNZZPXHYYFJ-UHFFFAOYSA-N
MW317.66 g/mol
LogP4.89
Rot. Bonds3

About 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine

5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine (PubChem CID 66292539) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
PubChem CID66292539
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
SMILESCCCc1nc(C2CCCCC2)nc(Cl)c1Br
InChIInChI=1S/C13H18BrClN2/c1-2-6-10-11(14)12(15)17-13(16-10)9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyIOTNNZZPXHYYFJ-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
CID 66292583
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
CID 66294833
5-bromo-4-chloro-2-cyclooctyl-6-propan-2-ylpyrimidine
CID 80603976
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 66293143
5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
CID 80622284
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine (CID 66292539) is 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine is CCCc1nc(C2CCCCC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine?
The InChIKey is IOTNNZZPXHYYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-2-6-10-11(14)12(15)17-13(16-10)9-7-4-3-5-8-9/h9H,2-8H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine?
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine has a molecular weight of 317.66 g/mol, XLogP of 4.89, 3 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-cyclohexyl-6-propylpyrimidine is sourced from PubChem (CID 66292539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).