2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine

C8H8ClFN2O2 — CID 79081625

IUPAC2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine
SMILESFc1cnc(Cl)nc1OC1CCOC1
InChIInChI=1S/C8H8ClFN2O2/c9-8-11-3-6(10)7(12-8)14-5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyQEXDDDBOXLBAAA-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.44
Rot. Bonds2

About 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine

2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine (PubChem CID 79081625) has the molecular formula C8H8ClFN2O2 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine
PubChem CID79081625
Molecular FormulaC8H8ClFN2O2
Molecular Weight218.61 g/mol
Exact Mass218.03
IUPAC Name2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine
SMILESFc1cnc(Cl)nc1OC1CCOC1
InChIInChI=1S/C8H8ClFN2O2/c9-8-11-3-6(10)7(12-8)14-5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyQEXDDDBOXLBAAA-UHFFFAOYSA-N
XLogP1.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
Bis-Pro-5FU
CID 155118873
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
2-Chloro-4-(2-methoxyethoxy)pyrimidine
CID 13861570
2-Chloro-4-(oxan-4-yloxy)pyrimidine
CID 51063929
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357
2-Propan-2-yloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282358
2-((5-Fluoropyrimidin-4-yl)oxy)-N,N-dimethylethanamine
CID 5151109
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
2,4-Di-tert-butoxy-5-fluoropyrimidine
CID 13061615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine (CID 79081625) is 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine is Fc1cnc(Cl)nc1OC1CCOC1.
What is the InChIKey of 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine?
The InChIKey is QEXDDDBOXLBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O2/c9-8-11-3-6(10)7(12-8)14-5-1-2-13-4-5/h3,5H,1-2,4H2.
What are the key properties of 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine?
2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine has a molecular weight of 218.61 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(oxolan-3-yloxy)pyrimidine is sourced from PubChem (CID 79081625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).