2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine

C12H16ClFN2O — CID 79081132

IUPAC2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine
SMILESCCC1CCCCC1Oc1nc(Cl)ncc1F
InChIInChI=1S/C12H16ClFN2O/c1-2-8-5-3-4-6-10(8)17-11-9(14)7-15-12(13)16-11/h7-8,10H,2-6H2,1H3
InChIKeyZXLRAMXMPZTDMW-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine

2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine (PubChem CID 79081132) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine
PubChem CID79081132
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine
SMILESCCC1CCCCC1Oc1nc(Cl)ncc1F
InChIInChI=1S/C12H16ClFN2O/c1-2-8-5-3-4-6-10(8)17-11-9(14)7-15-12(13)16-11/h7-8,10H,2-6H2,1H3
InChIKeyZXLRAMXMPZTDMW-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine (CID 79081132) is 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine is CCC1CCCCC1Oc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine?
The InChIKey is ZXLRAMXMPZTDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-2-8-5-3-4-6-10(8)17-11-9(14)7-15-12(13)16-11/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine?
2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine has a molecular weight of 258.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidine is sourced from PubChem (CID 79081132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).