7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione

C10H16N4O4 — CID 11608561

IUPAC7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=CN2CC(O)CO)N(C)C1=O
InChIInChI=1S/C10H16N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-8,15-16H,3-4H2,1-2H3
InChIKeyRGAPZTKTTKGIRK-UHFFFAOYSA-N
MW256.26 g/mol
LogP-2.10
Rot. Bonds3

About 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione

7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione (PubChem CID 11608561) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
PubChem CID11608561
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=CN2CC(O)CO)N(C)C1=O
InChIInChI=1S/C10H16N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-8,15-16H,3-4H2,1-2H3
InChIKeyRGAPZTKTTKGIRK-UHFFFAOYSA-N
XLogP-2.10
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

7-(3-Hydroxypropyl)-1,3-dimethyl-1,3,4,5,7-pentahydropurine-2,6-dione
CID 5028327
1-(4,5-Dihydroxyhexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 126752278
(4S,5S)-7-(3-hydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 28966427
(4R,5S)-7-(3-hydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 28966430
(4S,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 28966433
(4R,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 28966436
7-(2-Hydroxyethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 44483264
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 73185868
7-(2,3-dihydroxypropyl)-4,5-dihydro-3H-purine-2,6-dione
CID 73255469
7-(2-Hydroxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327267
7-(2,3-Dihydroxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327274
7-(2-Hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327275

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione (CID 11608561) is 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione is CN1C(=O)C2C(N=CN2CC(O)CO)N(C)C1=O.
What is the InChIKey of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
The InChIKey is RGAPZTKTTKGIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-8,15-16H,3-4H2,1-2H3.
What are the key properties of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione?
7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione has a molecular weight of 256.26 g/mol, XLogP of -2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 11608561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).