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

C15H16ClN3OS — CID 852304

IUPAC4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine
SMILESCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H16ClN3OS/c1-21-14-10-13(19-6-8-20-9-7-19)17-15(18-14)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3
InChIKeyRTCBQFHJZBAOBP-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.36
Rot. Bonds3

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

4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine (PubChem CID 852304) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine
PubChem CID852304
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine
SMILESCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H16ClN3OS/c1-21-14-10-13(19-6-8-20-9-7-19)17-15(18-14)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3
InChIKeyRTCBQFHJZBAOBP-UHFFFAOYSA-N
XLogP3.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.36
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-methylsulfanylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine (CID 852304) is 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine is CSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine?
The InChIKey is RTCBQFHJZBAOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-21-14-10-13(19-6-8-20-9-7-19)17-15(18-14)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine?
4-[2-(2-chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]morpholine has a molecular weight of 321.83 g/mol, XLogP of 3.36, 3 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-methylsulfanylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 852304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).