4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine

C15H16FN3O2 — CID 697273

IUPAC4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(Oc2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16FN3O2/c1-11-10-14(21-13-5-3-2-4-12(13)16)18-15(17-11)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyUTDJKLXWMDUDSI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.55
Rot. Bonds3

About 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine

4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine (PubChem CID 697273) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine
PubChem CID697273
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(Oc2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16FN3O2/c1-11-10-14(21-13-5-3-2-4-12(13)16)18-15(17-11)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyUTDJKLXWMDUDSI-UHFFFAOYSA-N
XLogP2.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine (CID 697273) is 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine is Cc1cc(Oc2ccccc2F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is UTDJKLXWMDUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11-10-14(21-13-5-3-2-4-12(13)16)18-15(17-11)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine?
4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 289.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 697273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).