4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one

C25H29N3O6 — CID 23961513

IUPAC4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one
SMILESCc1cc(OCC2CN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CCO2)nc(C(C)C)n1
InChIInChI=1S/C25H29N3O6/c1-15(2)25-26-17(4)10-22(27-25)33-13-19-12-28(7-8-31-19)23(29)14-32-18-5-6-20-16(3)9-24(30)34-21(20)11-18/h5-6,9-11,15,19H,7-8,12-14H2,1-4H3
InChIKeyQDBQOXYMHCBTOL-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.01
Rot. Bonds7

About 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one

4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one (PubChem CID 23961513) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one
PubChem CID23961513
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one
SMILESCc1cc(OCC2CN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CCO2)nc(C(C)C)n1
InChIInChI=1S/C25H29N3O6/c1-15(2)25-26-17(4)10-22(27-25)33-13-19-12-28(7-8-31-19)23(29)14-32-18-5-6-20-16(3)9-24(30)34-21(20)11-18/h5-6,9-11,15,19H,7-8,12-14H2,1-4H3
InChIKeyQDBQOXYMHCBTOL-UHFFFAOYSA-N
XLogP3.01
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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
2-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
CID 4984191
4-methyl-7-[2-oxo-2-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethoxy]chromen-2-one
CID 3711655
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
1-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
CID 3863178
methyl 2-[[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 4577778
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6723209
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 9020059
N-(furan-2-ylmethyl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide
CID 4994379
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9491858
2-(3,4-dimethylphenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953586

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one (CID 23961513) is 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one is Cc1cc(OCC2CN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CCO2)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one?
The InChIKey is QDBQOXYMHCBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-15(2)25-26-17(4)10-22(27-25)33-13-19-12-28(7-8-31-19)23(29)14-32-18-5-6-20-16(3)9-24(30)34-21(20)11-18/h5-6,9-11,15,19H,7-8,12-14H2,1-4H3.
What are the key properties of 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one?
4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one has a molecular weight of 467.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 23961513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).