1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione

C33H41N9O5Si — CID 159450143

IUPAC1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
SMILESCC1=Nc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)C1.Cc1nc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)n1COCC[Si](C)(C)C
InChIInChI=1S/C19H27N5O3Si.C14H14N4O2/c1-14-21-17-16(24(14)13-27-10-11-28(3,4)5)18(25)23(19(26)22(17)2)12-15-8-6-7-9-20-15;1-9-7-11-12(16-9)17(2)14(20)18(13(11)19)8-10-5-3-4-6-15-10/h6-9H,10-13H2,1-5H3;3-6H,7-8H2,1-2H3
InChIKeyLTGPTJSLHAULCB-UHFFFAOYSA-N
MW671.84 g/mol
LogP2.60
Rot. Bonds9

About 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione

1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione (PubChem CID 159450143) has the molecular formula C33H41N9O5Si and a molecular weight of 671.84 g/mol. Its IUPAC name is 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
PubChem CID159450143
Molecular FormulaC33H41N9O5Si
Molecular Weight671.84 g/mol
Exact Mass671.30
IUPAC Name1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
SMILESCC1=Nc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)C1.Cc1nc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)n1COCC[Si](C)(C)C
InChIInChI=1S/C19H27N5O3Si.C14H14N4O2/c1-14-21-17-16(24(14)13-27-10-11-28(3,4)5)18(25)23(19(26)22(17)2)12-15-8-6-7-9-20-15;1-9-7-11-12(16-9)17(2)14(20)18(13(11)19)8-10-5-3-4-6-15-10/h6-9H,10-13H2,1-5H3;3-6H,7-8H2,1-2H3
InChIKeyLTGPTJSLHAULCB-UHFFFAOYSA-N
XLogP2.60
TPSA153.19 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
3-Butyl-7-ethyl-8-pyridin-2-ylpurine-2,6-dione
CID 9464177
3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 9974009
1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11046285
1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 11056301
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)-N-(2-pyridinyl)acetamide
CID 648426
(8-(4-Methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2-yl)(4-(pyridin-2-yl)-1,4-diazepan-1-yl)methanone
CID 44438572
(8-(4-Methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2-yl)(4-(6-methylpyridin-2-yl)-1,4-diazepan-1-yl)methanone
CID 44438575
(R)-1-(3,4-difluorobenzyl)-2-(6-((2R,6S)-2,6-dimethylpiperidine-1-carbonyl)pyridin-3-yl)-5-ethyl-7-isopropyl-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 54582659
1,3-Dimethyl-8-[3-(4-phenylpiperazin-1-yl)propylamino]purino[7,8-a]pyrimidine-2,4-dione
CID 11236233
1,3-Dimethyl-8-[2-(4-phenylpiperazin-1-yl)ethylamino]purino[7,8-a]pyrimidine-2,4-dione
CID 11351015
N-benzyl-N-methyl-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 16190225

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The IUPAC name of 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione (CID 159450143) is 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione.
What is the SMILES notation for 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The canonical SMILES for 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione is CC1=Nc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)C1.Cc1nc2c(c(=O)n(Cc3ccccn3)c(=O)n2C)n1COCC[Si](C)(C)C.
What is the InChIKey of 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The InChIKey is LTGPTJSLHAULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3Si.C14H14N4O2/c1-14-21-17-16(24(14)13-27-10-11-28(3,4)5)18(25)23(19(26)22(17)2)12-15-8-6-7-9-20-15;1-9-7-11-12(16-9)17(2)14(20)18(13(11)19)8-10-5-3-4-6-15-10/h6-9H,10-13H2,1-5H3;3-6H,7-8H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione has a molecular weight of 671.84 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione is sourced from PubChem (CID 159450143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).