7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione

C15H27N5O4 — CID 73327275

IUPAC7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
SMILESCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CC(O)COC(C)C
InChIInChI=1S/C15H27N5O4/c1-8(2)16-14-17-12-11(13(22)18-15(23)19(12)5)20(14)6-10(21)7-24-9(3)4/h8-12,21H,6-7H2,1-5H3,(H,16,17)(H,18,22,23)
InChIKeyJLZVIJLCYJHEAV-UHFFFAOYSA-N
MW341.41 g/mol
LogP-0.68
Rot. Bonds6

About 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione

7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione (PubChem CID 73327275) has the molecular formula C15H27N5O4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
PubChem CID73327275
Molecular FormulaC15H27N5O4
Molecular Weight341.41 g/mol
Exact Mass341.21
IUPAC Name7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
SMILESCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CC(O)COC(C)C
InChIInChI=1S/C15H27N5O4/c1-8(2)16-14-17-12-11(13(22)18-15(23)19(12)5)20(14)6-10(21)7-24-9(3)4/h8-12,21H,6-7H2,1-5H3,(H,16,17)(H,18,22,23)
InChIKeyJLZVIJLCYJHEAV-UHFFFAOYSA-N
XLogP-0.68
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

7-(2,3-Dihydroxypropyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione
CID 11608561
(4R,5S)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 7786088
(4R,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 7786090
(4S,5S)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 7786092
(4S,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 7786094
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-methoxypropyl)acetamide
CID 53237795
7-(2,3-dihydroxypropyl)-4,5-dihydro-3H-purine-2,6-dione
CID 73255469
7-(2-Hydroxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 73257360
7-(2-Hydroxyethyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione
CID 73327266
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-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(propylamino)-5H-purin-7-ium-2,6-dione
CID 73327314

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione (CID 73327275) is 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione is CC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CC(O)COC(C)C.
What is the InChIKey of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
The InChIKey is JLZVIJLCYJHEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O4/c1-8(2)16-14-17-12-11(13(22)18-15(23)19(12)5)20(14)6-10(21)7-24-9(3)4/h8-12,21H,6-7H2,1-5H3,(H,16,17)(H,18,22,23).
What are the key properties of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione?
7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione has a molecular weight of 341.41 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(propan-2-ylamino)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73327275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).