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

C15H23N3OS — CID 110118036

IUPAC4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine
SMILESCC1(c2ncc(CN3CCSCC3)cn2)CCCCO1
InChIInChI=1S/C15H23N3OS/c1-15(4-2-3-7-19-15)14-16-10-13(11-17-14)12-18-5-8-20-9-6-18/h10-11H,2-9,12H2,1H3
InChIKeyDFMZNAOIYUIIKL-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.44
Rot. Bonds3

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

4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine (PubChem CID 110118036) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine
PubChem CID110118036
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine
SMILESCC1(c2ncc(CN3CCSCC3)cn2)CCCCO1
InChIInChI=1S/C15H23N3OS/c1-15(4-2-3-7-19-15)14-16-10-13(11-17-14)12-18-5-8-20-9-6-18/h10-11H,2-9,12H2,1H3
InChIKeyDFMZNAOIYUIIKL-UHFFFAOYSA-N
XLogP2.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.44
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]thiomorpholine?
The IUPAC name of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine (CID 110118036) is 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine is CC1(c2ncc(CN3CCSCC3)cn2)CCCCO1.
What is the InChIKey of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine?
The InChIKey is DFMZNAOIYUIIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(4-2-3-7-19-15)14-16-10-13(11-17-14)12-18-5-8-20-9-6-18/h10-11H,2-9,12H2,1H3.
What are the key properties of 4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine?
4-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine has a molecular weight of 293.44 g/mol, XLogP of 2.44, 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]thiomorpholine is sourced from PubChem (CID 110118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).