2-chloro-4-cyclobutyloxy-5-fluoropyrimidine

C8H8ClFN2O — CID 79080791

IUPAC2-chloro-4-cyclobutyloxy-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OC1CCC1
InChIInChI=1S/C8H8ClFN2O/c9-8-11-4-6(10)7(12-8)13-5-2-1-3-5/h4-5H,1-3H2
InChIKeyAPUYEPKEAQVHKI-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.20
Rot. Bonds2

About 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine

2-chloro-4-cyclobutyloxy-5-fluoropyrimidine (PubChem CID 79080791) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-cyclobutyloxy-5-fluoropyrimidine
PubChem CID79080791
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-chloro-4-cyclobutyloxy-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1OC1CCC1
InChIInChI=1S/C8H8ClFN2O/c9-8-11-4-6(10)7(12-8)13-5-2-1-3-5/h4-5H,1-3H2
InChIKeyAPUYEPKEAQVHKI-UHFFFAOYSA-N
XLogP2.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine (CID 79080791) is 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine is Fc1cnc(Cl)nc1OC1CCC1.
What is the InChIKey of 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine?
The InChIKey is APUYEPKEAQVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-8-11-4-6(10)7(12-8)13-5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine?
2-chloro-4-cyclobutyloxy-5-fluoropyrimidine has a molecular weight of 202.62 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclobutyloxy-5-fluoropyrimidine is sourced from PubChem (CID 79080791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).