2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol

C22H27N5O3 — CID 156831875

IUPAC2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
SMILESCOC(CO)c1nc(N2CCOCC2)cc(-n2ccc(-c3cc(C)ccc3C)n2)n1
InChIInChI=1S/C22H27N5O3/c1-15-4-5-16(2)17(12-15)18-6-7-27(25-18)21-13-20(26-8-10-30-11-9-26)23-22(24-21)19(14-28)29-3/h4-7,12-13,19,28H,8-11,14H2,1-3H3
InChIKeyTUSLNAAMZVKCJI-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol

2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol (PubChem CID 156831875) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol.

Molecular Properties

Compound Name2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
PubChem CID156831875
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
SMILESCOC(CO)c1nc(N2CCOCC2)cc(-n2ccc(-c3cc(C)ccc3C)n2)n1
InChIInChI=1S/C22H27N5O3/c1-15-4-5-16(2)17(12-15)18-6-7-27(25-18)21-13-20(26-8-10-30-11-9-26)23-22(24-21)19(14-28)29-3/h4-7,12-13,19,28H,8-11,14H2,1-3H3
InChIKeyTUSLNAAMZVKCJI-UHFFFAOYSA-N
XLogP2.46
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-2-[4-[3-(1-methylindol-3-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 156832053
(2R)-2-[4-[3-(1,3-benzothiazol-7-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
CID 156831987
2-[4-[3-(1,3-benzothiazol-7-yl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol
CID 170158861
2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 166709521
4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
CID 156832007
3-hydroxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile
CID 156831881
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
CID 156832136
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
CID 156832171

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol?
The IUPAC name of 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol (CID 156831875) is 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol.
What is the SMILES notation for 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol?
The canonical SMILES for 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol is COC(CO)c1nc(N2CCOCC2)cc(-n2ccc(-c3cc(C)ccc3C)n2)n1.
What is the InChIKey of 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol?
The InChIKey is TUSLNAAMZVKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-4-5-16(2)17(12-15)18-6-7-27(25-18)21-13-20(26-8-10-30-11-9-26)23-22(24-21)19(14-28)29-3/h4-7,12-13,19,28H,8-11,14H2,1-3H3.
What are the key properties of 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol?
2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol has a molecular weight of 409.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-methoxyethanol is sourced from PubChem (CID 156831875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).