4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine

C17H21N5O3 — CID 69046040

IUPAC4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine
SMILESc1ncc(-c2nc(OC3CCOCC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21N5O3/c1-5-23-6-2-14(1)25-16-9-15(22-3-7-24-8-4-22)20-17(21-16)13-10-18-12-19-11-13/h9-12,14H,1-8H2
InChIKeySCELWJDFXPJFHA-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.33
Rot. Bonds4

About 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine

4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine (PubChem CID 69046040) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine
PubChem CID69046040
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine
SMILESc1ncc(-c2nc(OC3CCOCC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21N5O3/c1-5-23-6-2-14(1)25-16-9-15(22-3-7-24-8-4-22)20-17(21-16)13-10-18-12-19-11-13/h9-12,14H,1-8H2
InChIKeySCELWJDFXPJFHA-UHFFFAOYSA-N
XLogP1.33
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine (CID 69046040) is 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine is c1ncc(-c2nc(OC3CCOCC3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine?
The InChIKey is SCELWJDFXPJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-5-23-6-2-14(1)25-16-9-15(22-3-7-24-8-4-22)20-17(21-16)13-10-18-12-19-11-13/h9-12,14H,1-8H2.
What are the key properties of 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine?
4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine has a molecular weight of 343.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxan-4-yloxy)-2-pyrimidin-5-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 69046040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).