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

C16H27N5O5 — CID 78212830

IUPAC7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)OCC(O)CN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C16H27N5O5/c1-10(2)26-9-11(22)8-21-12-13(19(3)16(24)18-14(12)23)17-15(21)20-4-6-25-7-5-20/h10-13,22H,4-9H2,1-3H3,(H,18,23,24)
InChIKeyILRSJDGFYCIUIN-UHFFFAOYSA-N
MW369.42 g/mol
LogP-1.35
Rot. Bonds5

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

7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78212830) has the molecular formula C16H27N5O5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
PubChem CID78212830
Molecular FormulaC16H27N5O5
Molecular Weight369.42 g/mol
Exact Mass369.20
IUPAC Name7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)OCC(O)CN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C16H27N5O5/c1-10(2)26-9-11(22)8-21-12-13(19(3)16(24)18-14(12)23)17-15(21)20-4-6-25-7-5-20/h10-13,22H,4-9H2,1-3H3,(H,18,23,24)
InChIKeyILRSJDGFYCIUIN-UHFFFAOYSA-N
XLogP-1.35
TPSA106.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090639
1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090640
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936424
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936425
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936426
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936427
(4S,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936428
(4S,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936429
(4R,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936430
(4R,5S)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936431
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 53237797
7-(2,3-dihydroxypropyl)-4,5-dihydro-3H-purine-2,6-dione
CID 73255469

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione (CID 78212830) is 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione is CC(C)OCC(O)CN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is ILRSJDGFYCIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O5/c1-10(2)26-9-11(22)8-21-12-13(19(3)16(24)18-14(12)23)17-15(21)20-4-6-25-7-5-20/h10-13,22H,4-9H2,1-3H3,(H,18,23,24).
What are the key properties of 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 369.42 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78212830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).