4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine

C14H20ClFN2O — CID 116746025

IUPAC4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
SMILESCCOC(c1nc(C)c(F)c(Cl)n1)C1CCCCC1
InChIInChI=1S/C14H20ClFN2O/c1-3-19-12(10-7-5-4-6-8-10)14-17-9(2)11(16)13(15)18-14/h10,12H,3-8H2,1-2H3
InChIKeyXKKFKNVCQFYQJM-UHFFFAOYSA-N
MW286.78 g/mol
LogP4.24
Rot. Bonds4

About 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine

4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine (PubChem CID 116746025) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
PubChem CID116746025
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
SMILESCCOC(c1nc(C)c(F)c(Cl)n1)C1CCCCC1
InChIInChI=1S/C14H20ClFN2O/c1-3-19-12(10-7-5-4-6-8-10)14-17-9(2)11(16)13(15)18-14/h10,12H,3-8H2,1-2H3
InChIKeyXKKFKNVCQFYQJM-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
4-tert-butyl-6-chloro-2-[cyclohexyl(ethoxy)methyl]pyrimidine
CID 116745713
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
4-chloro-2-(1-chloroethyl)-5-fluoro-6-methylpyrimidine
CID 80663151
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706711
2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997697
1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine (CID 116746025) is 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine is CCOC(c1nc(C)c(F)c(Cl)n1)C1CCCCC1.
What is the InChIKey of 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine?
The InChIKey is XKKFKNVCQFYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-3-19-12(10-7-5-4-6-8-10)14-17-9(2)11(16)13(15)18-14/h10,12H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine?
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine has a molecular weight of 286.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 116746025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).