4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine

C15H24N4OS — CID 126460347

IUPAC4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine
SMILESCSc1ncc(CN2CCCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C15H24N4OS/c1-21-15-16-9-13(10-17-15)11-18-4-2-3-14(12-18)19-5-7-20-8-6-19/h9-10,14H,2-8,11-12H2,1H3
InChIKeyQUAHXJIJNZERNL-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.50
Rot. Bonds4

About 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine

4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 126460347) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine
PubChem CID126460347
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine
SMILESCSc1ncc(CN2CCCC(N3CCOCC3)C2)cn1
InChIInChI=1S/C15H24N4OS/c1-21-15-16-9-13(10-17-15)11-18-4-2-3-14(12-18)19-5-7-20-8-6-19/h9-10,14H,2-8,11-12H2,1H3
InChIKeyQUAHXJIJNZERNL-UHFFFAOYSA-N
XLogP1.50
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine (CID 126460347) is 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine is CSc1ncc(CN2CCCC(N3CCOCC3)C2)cn1.
What is the InChIKey of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is QUAHXJIJNZERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-21-15-16-9-13(10-17-15)11-18-4-2-3-14(12-18)19-5-7-20-8-6-19/h9-10,14H,2-8,11-12H2,1H3.
What are the key properties of 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 308.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 126460347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).