4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine

C16H17Cl2N3OS — CID 1136274

IUPAC4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(SCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H17Cl2N3OS/c1-11-9-15(21-5-7-22-8-6-21)20-16(19-11)23-10-12-13(17)3-2-4-14(12)18/h2-4,9H,5-8,10H2,1H3
InChIKeyWYCRDHRMIQNYRB-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.22
Rot. Bonds4

About 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 1136274) has the molecular formula C16H17Cl2N3OS and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID1136274
Molecular FormulaC16H17Cl2N3OS
Molecular Weight370.31 g/mol
Exact Mass369.05
IUPAC Name4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(SCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H17Cl2N3OS/c1-11-9-15(21-5-7-22-8-6-21)20-16(19-11)23-10-12-13(17)3-2-4-14(12)18/h2-4,9H,5-8,10H2,1H3
InChIKeyWYCRDHRMIQNYRB-UHFFFAOYSA-N
XLogP4.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine (CID 1136274) is 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(SCc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is WYCRDHRMIQNYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3OS/c1-11-9-15(21-5-7-22-8-6-21)20-16(19-11)23-10-12-13(17)3-2-4-14(12)18/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 370.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1136274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).