2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine

C11H14ClFN2O — CID 79081054

IUPAC2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCCCC1
InChIInChI=1S/C11H14ClFN2O/c12-11-14-6-9(13)10(15-11)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyJFEYKKHFBOJWJM-UHFFFAOYSA-N
MW244.70 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine

2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine (PubChem CID 79081054) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine
PubChem CID79081054
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OCC1CCCCC1
InChIInChI=1S/C11H14ClFN2O/c12-11-14-6-9(13)10(15-11)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyJFEYKKHFBOJWJM-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine (CID 79081054) is 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine is Fc1cnc(Cl)nc1OCC1CCCCC1.
What is the InChIKey of 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine?
The InChIKey is JFEYKKHFBOJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-11-14-6-9(13)10(15-11)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2.
What are the key properties of 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine?
2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine has a molecular weight of 244.70 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclohexylmethoxy)-5-fluoropyrimidine is sourced from PubChem (CID 79081054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).