2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone

C24H28N6O3 — CID 125023520

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCOc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1
InChIInChI=1S/C24H28N6O3/c1-29(15-18-6-3-7-19(14-18)32-2)17-23(31)30-12-13-33-21(16-30)20-8-4-9-22(27-20)28-24-25-10-5-11-26-24/h3-11,14,21H,12-13,15-17H2,1-2H3,(H,25,26,27,28)/t21-/m1/s1
InChIKeyYYWDHNJVFXMCIA-OAQYLSRUSA-N
MW448.53 g/mol
LogP2.66
Rot. Bonds8

About 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone

2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 125023520) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID125023520
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCOc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1
InChIInChI=1S/C24H28N6O3/c1-29(15-18-6-3-7-19(14-18)32-2)17-23(31)30-12-13-33-21(16-30)20-8-4-9-22(27-20)28-24-25-10-5-11-26-24/h3-11,14,21H,12-13,15-17H2,1-2H3,(H,25,26,27,28)/t21-/m1/s1
InChIKeyYYWDHNJVFXMCIA-OAQYLSRUSA-N
XLogP2.66
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3-methoxyphenyl)methyl-methylamino]-1-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946146
2-(3-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249734
(6-methoxy-1-methylindol-2-yl)-[(2S)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124939990
3-(4-methoxy-N-methylanilino)-1-[(2S)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960916
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835797
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 127250400
3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125000008
1-[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 125010044
3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 155984918
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
[2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251425

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone (CID 125023520) is 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone is COc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is YYWDHNJVFXMCIA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-29(15-18-6-3-7-19(14-18)32-2)17-23(31)30-12-13-33-21(16-30)20-8-4-9-22(27-20)28-24-25-10-5-11-26-24/h3-11,14,21H,12-13,15-17H2,1-2H3,(H,25,26,27,28)/t21-/m1/s1.
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone?
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 448.53 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 125023520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).