4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine

C15H15ClFN3OS — CID 121428633

IUPAC4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine
SMILESFc1cccc(SCc2cc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H15ClFN3OS/c16-14-9-12(10-22-13-3-1-2-11(17)8-13)18-15(19-14)20-4-6-21-7-5-20/h1-3,8-9H,4-7,10H2
InChIKeyFLVILURLDWSMOU-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.40
Rot. Bonds4

About 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine

4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine (PubChem CID 121428633) has the molecular formula C15H15ClFN3OS and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine
PubChem CID121428633
Molecular FormulaC15H15ClFN3OS
Molecular Weight339.82 g/mol
Exact Mass339.06
IUPAC Name4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine
SMILESFc1cccc(SCc2cc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H15ClFN3OS/c16-14-9-12(10-22-13-3-1-2-11(17)8-13)18-15(19-14)20-4-6-21-7-5-20/h1-3,8-9H,4-7,10H2
InChIKeyFLVILURLDWSMOU-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine (CID 121428633) is 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine is Fc1cccc(SCc2cc(Cl)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine?
The InChIKey is FLVILURLDWSMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3OS/c16-14-9-12(10-22-13-3-1-2-11(17)8-13)18-15(19-14)20-4-6-21-7-5-20/h1-3,8-9H,4-7,10H2.
What are the key properties of 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine?
4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine has a molecular weight of 339.82 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 121428633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).