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

C20H19FN4O3S — CID 58137170

IUPAC4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
InChIKeyJAUIOJAQQTUDNL-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.49
Rot. Bonds5

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

4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137170) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137170
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
InChIKeyJAUIOJAQQTUDNL-UHFFFAOYSA-N
XLogP2.49
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-{2-Methyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}morpholine
CID 1476655
4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylsulphonyl)anilino]pyrimidine
CID 44589091
4-(6-(((4-Chlorophenyl)sulfanyl)methyl)-2-(2-pyridinyl)-4-pyrimidinyl)morpholine
CID 1489499
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-4-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427643
4-Fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428413
5-[6-[1-(3-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428444
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
5-[6-[1-(Benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428564
5-[6-[1-(4-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132037143
5-[6-[1-(2-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132037195
[6-Morpholino-2-(2-pyridinyl)-4-pyrimidinyl]methyl phenyl sulfone
CID 1471775
N-[2-methyl-5-[2-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)ethynyl]-3-pyridinyl]benzenesulfonamide
CID 60141048

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137170) is 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is JAUIOJAQQTUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2.
What are the key properties of 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 414.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).