4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine

C14H20ClFN2 — CID 66000430

IUPAC4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(C)c(F)c(Cl)n2)CC1
InChIInChI=1S/C14H20ClFN2/c1-3-4-10-5-7-11(8-6-10)14-17-9(2)12(16)13(15)18-14/h10-11H,3-8H2,1-2H3
InChIKeyCRWHOXIKLKUVNR-UHFFFAOYSA-N
MW270.78 g/mol
LogP4.65
Rot. Bonds3

About 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine

4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine (PubChem CID 66000430) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine
PubChem CID66000430
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(C)c(F)c(Cl)n2)CC1
InChIInChI=1S/C14H20ClFN2/c1-3-4-10-5-7-11(8-6-10)14-17-9(2)12(16)13(15)18-14/h10-11H,3-8H2,1-2H3
InChIKeyCRWHOXIKLKUVNR-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine (CID 66000430) is 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine is CCCC1CCC(c2nc(C)c(F)c(Cl)n2)CC1.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine?
The InChIKey is CRWHOXIKLKUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-3-4-10-5-7-11(8-6-10)14-17-9(2)12(16)13(15)18-14/h10-11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine has a molecular weight of 270.78 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine is sourced from PubChem (CID 66000430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).