4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C20H20N4O3S — CID 1471775

IUPAC4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2
InChIKeyYHWWKRCQPVDEBT-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.35
Rot. Bonds5

About 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 1471775) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID1471775
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2
InChIKeyYHWWKRCQPVDEBT-UHFFFAOYSA-N
XLogP2.35
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 1471775) is 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is YHWWKRCQPVDEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2.
What are the key properties of 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 396.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzenesulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1471775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).