5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine

C14H20BrClN2 — CID 66292338

IUPAC5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine
SMILESCCCc1nc(C2CCC(C)CC2)nc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2/c1-3-4-11-12(15)13(16)18-14(17-11)10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyIANYKRNERDVAOT-UHFFFAOYSA-N
MW331.69 g/mol
LogP5.14
Rot. Bonds3

About 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine

5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine (PubChem CID 66292338) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine
PubChem CID66292338
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine
SMILESCCCc1nc(C2CCC(C)CC2)nc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2/c1-3-4-11-12(15)13(16)18-14(17-11)10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyIANYKRNERDVAOT-UHFFFAOYSA-N
XLogP5.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.69
LogP ≤ 55.14
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-(4-methylcyclohexyl)-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine (CID 66292338) is 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine is CCCc1nc(C2CCC(C)CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine?
The InChIKey is IANYKRNERDVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-3-4-11-12(15)13(16)18-14(17-11)10-7-5-9(2)6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine has a molecular weight of 331.69 g/mol, XLogP of 5.14, 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-(4-methylcyclohexyl)-6-propylpyrimidine is sourced from PubChem (CID 66292338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).