4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C24H30N6O3 — CID 156832189

IUPAC4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCOc1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2CN2CCOCC2)n1
InChIInChI=1S/C24H30N6O3/c1-18-4-3-5-19(14-18)21-15-20(17-28-6-10-32-11-7-28)30(27-21)23-16-22(25-24(26-23)31-2)29-8-12-33-13-9-29/h3-5,14-16H,6-13,17H2,1-2H3
InChIKeyIEXIZBTYTUCQDE-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.32
Rot. Bonds6

About 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 156832189) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID156832189
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCOc1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2CN2CCOCC2)n1
InChIInChI=1S/C24H30N6O3/c1-18-4-3-5-19(14-18)21-15-20(17-28-6-10-32-11-7-28)30(27-21)23-16-22(25-24(26-23)31-2)29-8-12-33-13-9-29/h3-5,14-16H,6-13,17H2,1-2H3
InChIKeyIEXIZBTYTUCQDE-UHFFFAOYSA-N
XLogP2.32
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 166709521
4-[2-ethenyl-6-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832211
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
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
2-[4-(5-methyl-3-phenylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 156832106
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
CID 156832136
3-hydroxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile
CID 156831881
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 156832189) is 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is COc1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2CN2CCOCC2)n1.
What is the InChIKey of 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is IEXIZBTYTUCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-18-4-3-5-19(14-18)21-15-20(17-28-6-10-32-11-7-28)30(27-21)23-16-22(25-24(26-23)31-2)29-8-12-33-13-9-29/h3-5,14-16H,6-13,17H2,1-2H3.
What are the key properties of 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?
4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 450.54 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-6-[3-(3-methylphenyl)-5-(morpholin-4-ylmethyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).