4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine

C14H21N3O2 — CID 118740131

IUPAC4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine
SMILESc1nc(C2CCCCO2)ncc1CN1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-2-6-19-13(3-1)14-15-9-12(10-16-14)11-17-4-7-18-8-5-17/h9-10,13H,1-8,11H2
InChIKeyNMCAIOCRUJXQDL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.55
Rot. Bonds3

About 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine

4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine (PubChem CID 118740131) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine
PubChem CID118740131
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine
SMILESc1nc(C2CCCCO2)ncc1CN1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-2-6-19-13(3-1)14-15-9-12(10-16-14)11-17-4-7-18-8-5-17/h9-10,13H,1-8,11H2
InChIKeyNMCAIOCRUJXQDL-UHFFFAOYSA-N
XLogP1.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine (CID 118740131) is 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine is c1nc(C2CCCCO2)ncc1CN1CCOCC1.
What is the InChIKey of 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The InChIKey is NMCAIOCRUJXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-6-19-13(3-1)14-15-9-12(10-16-14)11-17-4-7-18-8-5-17/h9-10,13H,1-8,11H2.
What are the key properties of 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine has a molecular weight of 263.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]morpholine is sourced from PubChem (CID 118740131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).