2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione

C23H26N4O5 — CID 4984191

IUPAC2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cc(OCC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)CCO2)nc(C(C)C)n1
InChIInChI=1S/C23H26N4O5/c1-14(2)21-24-15(3)10-19(25-21)32-13-16-11-26(8-9-31-16)20(28)12-27-22(29)17-6-4-5-7-18(17)23(27)30/h4-7,10,14,16H,8-9,11-13H2,1-3H3
InChIKeyOENLKSMHWDRIQH-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.81
Rot. Bonds6

About 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 4984191) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID4984191
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cc(OCC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)CCO2)nc(C(C)C)n1
InChIInChI=1S/C23H26N4O5/c1-14(2)21-24-15(3)10-19(25-21)32-13-16-11-26(8-9-31-16)20(28)12-27-22(29)17-6-4-5-7-18(17)23(27)30/h4-7,10,14,16H,8-9,11-13H2,1-3H3
InChIKeyOENLKSMHWDRIQH-UHFFFAOYSA-N
XLogP1.81
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate
CID 4988484
1-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
CID 3863178
2-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-1-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]ethanone
CID 3865507
4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one
CID 23961513
methyl 2-[[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 4577778
N-(furan-2-ylmethyl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide
CID 4994379
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide
CID 3714271
N-(2-bromo-4-fluorophenyl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide
CID 3575065
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
4-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 3782827
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532
(3aS,7aS)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92855739

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione (CID 4984191) is 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione is Cc1cc(OCC2CN(C(=O)CN3C(=O)c4ccccc4C3=O)CCO2)nc(C(C)C)n1.
What is the InChIKey of 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is OENLKSMHWDRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14(2)21-24-15(3)10-19(25-21)32-13-16-11-26(8-9-31-16)20(28)12-27-22(29)17-6-4-5-7-18(17)23(27)30/h4-7,10,14,16H,8-9,11-13H2,1-3H3.
What are the key properties of 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 438.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 4984191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).