4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine

C17H20ClN3OS — CID 7315396

IUPAC4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine
SMILESCCCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN3OS/c1-2-11-23-16-12-15(21-7-9-22-10-8-21)19-17(20-16)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3
InChIKeyQTSKTEIBOQXSOL-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.14
Rot. Bonds5

About 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine

4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine (PubChem CID 7315396) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine
PubChem CID7315396
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine
SMILESCCCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN3OS/c1-2-11-23-16-12-15(21-7-9-22-10-8-21)19-17(20-16)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3
InChIKeyQTSKTEIBOQXSOL-UHFFFAOYSA-N
XLogP4.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine (CID 7315396) is 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine is CCCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine?
The InChIKey is QTSKTEIBOQXSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-2-11-23-16-12-15(21-7-9-22-10-8-21)19-17(20-16)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine?
4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine has a molecular weight of 349.89 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-6-propylsulfanylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 7315396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).