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

C12H18ClFN2O — CID 79080865

IUPAC2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine
SMILESCCCCC(CC)COc1nc(Cl)ncc1F
InChIInChI=1S/C12H18ClFN2O/c1-3-5-6-9(4-2)8-17-11-10(14)7-15-12(13)16-11/h7,9H,3-6,8H2,1-2H3
InChIKeyXVYSADGUWYLVCQ-UHFFFAOYSA-N
MW260.74 g/mol
LogP3.86
Rot. Bonds7

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

2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine (PubChem CID 79080865) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine
PubChem CID79080865
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine
SMILESCCCCC(CC)COc1nc(Cl)ncc1F
InChIInChI=1S/C12H18ClFN2O/c1-3-5-6-9(4-2)8-17-11-10(14)7-15-12(13)16-11/h7,9H,3-6,8H2,1-2H3
InChIKeyXVYSADGUWYLVCQ-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 53.86
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-ethylhexoxy)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine (CID 79080865) is 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine is CCCCC(CC)COc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine?
The InChIKey is XVYSADGUWYLVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-3-5-6-9(4-2)8-17-11-10(14)7-15-12(13)16-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine?
2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine has a molecular weight of 260.74 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylhexoxy)-5-fluoropyrimidine is sourced from PubChem (CID 79080865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).