4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine

C16H18FN3OS — CID 143633110

IUPAC4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CSc2ccc(F)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18FN3OS/c1-12-18-14(11-22-15-4-2-13(17)3-5-15)10-16(19-12)20-6-8-21-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyUGZMOLOUBBDSHA-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.05
Rot. Bonds4

About 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine

4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 143633110) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID143633110
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CSc2ccc(F)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18FN3OS/c1-12-18-14(11-22-15-4-2-13(17)3-5-15)10-16(19-12)20-6-8-21-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyUGZMOLOUBBDSHA-UHFFFAOYSA-N
XLogP3.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine (CID 143633110) is 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(CSc2ccc(F)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is UGZMOLOUBBDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-12-18-14(11-22-15-4-2-13(17)3-5-15)10-16(19-12)20-6-8-21-9-7-20/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 319.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 143633110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).