6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C22H28N4O5 — CID 131948166

IUPAC6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1cc(CN2Cc3nc(C)n(C)c(=O)c3C2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H28N4O5/c1-15-23-18-13-25(12-17(18)22(28)24(15)2)11-16-4-5-19(20(10-16)29-3)31-14-21(27)26-6-8-30-9-7-26/h4-5,10H,6-9,11-14H2,1-3H3
InChIKeySWVHCEQKFSWSSD-UHFFFAOYSA-N
MW428.49 g/mol
LogP0.85
Rot. Bonds6

About 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 131948166) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID131948166
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOc1cc(CN2Cc3nc(C)n(C)c(=O)c3C2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H28N4O5/c1-15-23-18-13-25(12-17(18)22(28)24(15)2)11-16-4-5-19(20(10-16)29-3)31-14-21(27)26-6-8-30-9-7-26/h4-5,10H,6-9,11-14H2,1-3H3
InChIKeySWVHCEQKFSWSSD-UHFFFAOYSA-N
XLogP0.85
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131943183
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938428
2-[2-methoxy-4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131905909
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131923008
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
2-[2-methoxy-4-[(pyridazin-3-ylamino)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 86806885

Frequently Asked Questions

What is the IUPAC name of 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 131948166) is 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is COc1cc(CN2Cc3nc(C)n(C)c(=O)c3C2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SWVHCEQKFSWSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-15-23-18-13-25(12-17(18)22(28)24(15)2)11-16-4-5-19(20(10-16)29-3)31-14-21(27)26-6-8-30-9-7-26/h4-5,10H,6-9,11-14H2,1-3H3.
What are the key properties of 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 428.49 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 131948166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).