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

C15H23N3O2 — CID 110118022

IUPAC4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
SMILESCC1(c2ncc(CN3CCOCC3)cn2)CCCCO1
InChIInChI=1S/C15H23N3O2/c1-15(4-2-3-7-20-15)14-16-10-13(11-17-14)12-18-5-8-19-9-6-18/h10-11H,2-9,12H2,1H3
InChIKeyNQCJABVYLRRDTB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds3

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

4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine (PubChem CID 110118022) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
PubChem CID110118022
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
SMILESCC1(c2ncc(CN3CCOCC3)cn2)CCCCO1
InChIInChI=1S/C15H23N3O2/c1-15(4-2-3-7-20-15)14-16-10-13(11-17-14)12-18-5-8-19-9-6-18/h10-11H,2-9,12H2,1H3
InChIKeyNQCJABVYLRRDTB-UHFFFAOYSA-N
XLogP1.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine (CID 110118022) is 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine is CC1(c2ncc(CN3CCOCC3)cn2)CCCCO1.
What is the InChIKey of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
The InChIKey is NQCJABVYLRRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(4-2-3-7-20-15)14-16-10-13(11-17-14)12-18-5-8-19-9-6-18/h10-11H,2-9,12H2,1H3.
What are the key properties of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine?
4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine has a molecular weight of 277.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine is sourced from PubChem (CID 110118022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).