4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C21H25N5O2 — CID 156831967

IUPAC4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCOCCc1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1
InChIInChI=1S/C21H25N5O2/c1-16-4-3-5-17(14-16)18-6-8-26(24-18)21-15-20(25-9-12-28-13-10-25)22-19(23-21)7-11-27-2/h3-6,8,14-15H,7,9-13H2,1-2H3
InChIKeyQFZBOUGKPGPVFC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.66
Rot. Bonds6

About 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 156831967) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID156831967
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCOCCc1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1
InChIInChI=1S/C21H25N5O2/c1-16-4-3-5-17(14-16)18-6-8-26(24-18)21-15-20(25-9-12-28-13-10-25)22-19(23-21)7-11-27-2/h3-6,8,14-15H,7,9-13H2,1-2H3
InChIKeyQFZBOUGKPGPVFC-UHFFFAOYSA-N
XLogP2.66
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
CID 156832136
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
3-hydroxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile
CID 156831881
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
CID 156832171
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine
CID 166156041
2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 166709521
4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 150401923
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 156831967) is 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is COCCc1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1.
What is the InChIKey of 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is QFZBOUGKPGPVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-4-3-5-17(14-16)18-6-8-26(24-18)21-15-20(25-9-12-28-13-10-25)22-19(23-21)7-11-27-2/h3-6,8,14-15H,7,9-13H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156831967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).