4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine

C22H23FN4O — CID 133330399

IUPAC4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCc1nc(-c2ccccn2)nc(N2CC(C)OC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C22H23FN4O/c1-14-12-27(13-20(28-14)17-7-9-18(23)10-8-17)22-15(2)16(3)25-21(26-22)19-6-4-5-11-24-19/h4-11,14,20H,12-13H2,1-3H3
InChIKeyMEGAYHMNEQYTCV-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.26
Rot. Bonds3

About 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine

4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine (PubChem CID 133330399) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine
PubChem CID133330399
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCc1nc(-c2ccccn2)nc(N2CC(C)OC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C22H23FN4O/c1-14-12-27(13-20(28-14)17-7-9-18(23)10-8-17)22-15(2)16(3)25-21(26-22)19-6-4-5-11-24-19/h4-11,14,20H,12-13H2,1-3H3
InChIKeyMEGAYHMNEQYTCV-UHFFFAOYSA-N
XLogP4.26
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)morpholine
CID 133290851
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
CID 133330522
4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133316063
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56584722
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133330520
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(ethoxymethyl)morpholine
CID 166246196
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 56584266
4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133294526

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
The IUPAC name of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine (CID 133330399) is 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine.
What is the SMILES notation for 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
The canonical SMILES for 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine is Cc1nc(-c2ccccn2)nc(N2CC(C)OC(c3ccc(F)cc3)C2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
The InChIKey is MEGAYHMNEQYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-12-27(13-20(28-14)17-7-9-18(23)10-8-17)22-15(2)16(3)25-21(26-22)19-6-4-5-11-24-19/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine has a molecular weight of 378.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine is sourced from PubChem (CID 133330399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).