4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C20H20N4O2 — CID 58137077

IUPAC4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESc1ccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-6-17(7-3-1)26-15-16-14-19(24-10-12-25-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2
InChIKeyUSIXHXOJMBSZBK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.95
Rot. Bonds5

About 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137077) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137077
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESc1ccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-6-17(7-3-1)26-15-16-14-19(24-10-12-25-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2
InChIKeyUSIXHXOJMBSZBK-UHFFFAOYSA-N
XLogP2.95
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137077) is 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is c1ccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is USIXHXOJMBSZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-6-17(7-3-1)26-15-16-14-19(24-10-12-25-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2.
What are the key properties of 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 348.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).