4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine

C8H9ClN2O3 — CID 102606254

IUPAC4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine
SMILESCOc1c(Cl)ncnc1OC1COC1
InChIInChI=1S/C8H9ClN2O3/c1-12-6-7(9)10-4-11-8(6)14-5-2-13-3-5/h4-5H,2-3H2,1H3
InChIKeyUHEVYGZNQCZIED-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.92
Rot. Bonds3

About 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine

4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine (PubChem CID 102606254) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine
PubChem CID102606254
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine
SMILESCOc1c(Cl)ncnc1OC1COC1
InChIInChI=1S/C8H9ClN2O3/c1-12-6-7(9)10-4-11-8(6)14-5-2-13-3-5/h4-5H,2-3H2,1H3
InChIKeyUHEVYGZNQCZIED-UHFFFAOYSA-N
XLogP0.92
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine?
The IUPAC name of 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine (CID 102606254) is 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine is COc1c(Cl)ncnc1OC1COC1.
What is the InChIKey of 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine?
The InChIKey is UHEVYGZNQCZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-12-6-7(9)10-4-11-8(6)14-5-2-13-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine?
4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine has a molecular weight of 216.62 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine is sourced from PubChem (CID 102606254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).