4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine

C16H19N3O2S — CID 3811380

IUPAC4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCS(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-22(20)12-14-11-15(19-7-9-21-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyTYZZWDXLYBINEX-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.86
Rot. Bonds4

About 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 3811380) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID3811380
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCS(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-22(20)12-14-11-15(19-7-9-21-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyTYZZWDXLYBINEX-UHFFFAOYSA-N
XLogP1.86
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine (CID 3811380) is 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine is CS(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is TYZZWDXLYBINEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-22(20)12-14-11-15(19-7-9-21-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 317.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylsulfinylmethyl)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 3811380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).