3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

C20H24FN3O2S — CID 134044274

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESCSc1nc(C)c(CCC(=O)N2CCOC(c3ccc(F)cc3)C2)c(C)n1
InChIInChI=1S/C20H24FN3O2S/c1-13-17(14(2)23-20(22-13)27-3)8-9-19(25)24-10-11-26-18(12-24)15-4-6-16(21)7-5-15/h4-7,18H,8-12H2,1-3H3
InChIKeyZHAZOCBSAXEKAA-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.49
Rot. Bonds5

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 134044274) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
PubChem CID134044274
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESCSc1nc(C)c(CCC(=O)N2CCOC(c3ccc(F)cc3)C2)c(C)n1
InChIInChI=1S/C20H24FN3O2S/c1-13-17(14(2)23-20(22-13)27-3)8-9-19(25)24-10-11-26-18(12-24)15-4-6-16(21)7-5-15/h4-7,18H,8-12H2,1-3H3
InChIKeyZHAZOCBSAXEKAA-UHFFFAOYSA-N
XLogP3.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135930631
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (CID 134044274) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is CSc1nc(C)c(CCC(=O)N2CCOC(c3ccc(F)cc3)C2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is ZHAZOCBSAXEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-13-17(14(2)23-20(22-13)27-3)8-9-19(25)24-10-11-26-18(12-24)15-4-6-16(21)7-5-15/h4-7,18H,8-12H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 134044274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).