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

C7H6ClFN2O2 — CID 102606246

IUPAC2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine
SMILESFc1cnc(Cl)nc1OC1COC1
InChIInChI=1S/C7H6ClFN2O2/c8-7-10-1-5(9)6(11-7)13-4-2-12-3-4/h1,4H,2-3H2
InChIKeyFNKWKNLXXMSNRW-UHFFFAOYSA-N
MW204.59 g/mol
LogP1.05
Rot. Bonds2

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

2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine (PubChem CID 102606246) has the molecular formula C7H6ClFN2O2 and a molecular weight of 204.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine
PubChem CID102606246
Molecular FormulaC7H6ClFN2O2
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Name2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine
SMILESFc1cnc(Cl)nc1OC1COC1
InChIInChI=1S/C7H6ClFN2O2/c8-7-10-1-5(9)6(11-7)13-4-2-12-3-4/h1,4H,2-3H2
InChIKeyFNKWKNLXXMSNRW-UHFFFAOYSA-N
XLogP1.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3,4-dimethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79081144
ethyl 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxycyclohexyl]acetate
CID 167388788
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
CID 79081506
4-cyclopentyloxy-5-fluoropyrimidin-2-amine
CID 80861467
4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine
CID 114042647
6-[(2-chloro-5-fluoropyrimidin-4-yl)oxymethyl]-2-azaspiro[3.3]heptane
CID 165385614
2-chloro-4-(1-cycloheptyl-2,2,2-trifluoroethoxy)-5-fluoropyrimidine
CID 143519612
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 171627470
3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174
2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine
CID 79080952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine (CID 102606246) is 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine is Fc1cnc(Cl)nc1OC1COC1.
What is the InChIKey of 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine?
The InChIKey is FNKWKNLXXMSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O2/c8-7-10-1-5(9)6(11-7)13-4-2-12-3-4/h1,4H,2-3H2.
What are the key properties of 2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine?
2-chloro-5-fluoro-4-(oxetan-3-yloxy)pyrimidine has a molecular weight of 204.59 g/mol, XLogP of 1.05, 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-(oxetan-3-yloxy)pyrimidine is sourced from PubChem (CID 102606246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).