4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine

C15H23ClN4O2S — CID 3044423

IUPAC4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine
SMILESCSc1c(Cl)nc(N2CCOCC2)nc1OC1CCN(C)CC1
InChIInChI=1S/C15H23ClN4O2S/c1-19-5-3-11(4-6-19)22-14-12(23-2)13(16)17-15(18-14)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3
InChIKeyUGVURAZZFLZXRY-UHFFFAOYSA-N
MW358.90 g/mol
LogP2.16
Rot. Bonds4

About 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine

4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine (PubChem CID 3044423) has the molecular formula C15H23ClN4O2S and a molecular weight of 358.90 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine
PubChem CID3044423
Molecular FormulaC15H23ClN4O2S
Molecular Weight358.90 g/mol
Exact Mass358.12
IUPAC Name4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine
SMILESCSc1c(Cl)nc(N2CCOCC2)nc1OC1CCN(C)CC1
InChIInChI=1S/C15H23ClN4O2S/c1-19-5-3-11(4-6-19)22-14-12(23-2)13(16)17-15(18-14)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3
InChIKeyUGVURAZZFLZXRY-UHFFFAOYSA-N
XLogP2.16
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.90
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine (CID 3044423) is 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine is CSc1c(Cl)nc(N2CCOCC2)nc1OC1CCN(C)CC1.
What is the InChIKey of 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine?
The InChIKey is UGVURAZZFLZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2S/c1-19-5-3-11(4-6-19)22-14-12(23-2)13(16)17-15(18-14)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3.
What are the key properties of 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine?
4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine has a molecular weight of 358.90 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(1-methylpiperidin-4-yl)oxy-5-methylsulfanylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 3044423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).