6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C20H28N4O3 — CID 72936951

IUPAC6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(Cc1ccc(OCC(O)CN(C)C)cc1)C2
InChIInChI=1S/C20H28N4O3/c1-14-21-19-12-24(11-18(19)20(26)23(14)4)9-15-5-7-17(8-6-15)27-13-16(25)10-22(2)3/h5-8,16,25H,9-13H2,1-4H3
InChIKeyCMHUXPQZBZUURT-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.91
Rot. Bonds7

About 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72936951) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72936951
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(Cc1ccc(OCC(O)CN(C)C)cc1)C2
InChIInChI=1S/C20H28N4O3/c1-14-21-19-12-24(11-18(19)20(26)23(14)4)9-15-5-7-17(8-6-15)27-13-16(25)10-22(2)3/h5-8,16,25H,9-13H2,1-4H3
InChIKeyCMHUXPQZBZUURT-UHFFFAOYSA-N
XLogP0.91
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-(dimethylamino)-3-[4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 72939087
1-[[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 97270150
1-(dimethylamino)-3-[4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 45194442
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;(4-methylphenyl)-phenylmethanone
CID 158757358
4-[[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-1-methylpiperazin-2-one
CID 72889018
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72936951) is 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(Cc1ccc(OCC(O)CN(C)C)cc1)C2.
What is the InChIKey of 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is CMHUXPQZBZUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-21-19-12-24(11-18(19)20(26)23(14)4)9-15-5-7-17(8-6-15)27-13-16(25)10-22(2)3/h5-8,16,25H,9-13H2,1-4H3.
What are the key properties of 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 372.47 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]methyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72936951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).