4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C16H24N6O3 — CID 74690415

IUPAC4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCOCC1
InChIInChI=1S/C16H24N6O3/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)5-3-4-20-6-8-25-9-7-20/h10,12-13H,3-9H2,1-2H3,(H,18,23,24)
InChIKeyBSEQOAPNNIGDME-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.57
Rot. Bonds4

About 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 74690415) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID74690415
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCOCC1
InChIInChI=1S/C16H24N6O3/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)5-3-4-20-6-8-25-9-7-20/h10,12-13H,3-9H2,1-2H3,(H,18,23,24)
InChIKeyBSEQOAPNNIGDME-UHFFFAOYSA-N
XLogP-0.57
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-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
4,7-Dimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73259127

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 74690415) is 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCOCC1.
What is the InChIKey of 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is BSEQOAPNNIGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)5-3-4-20-6-8-25-9-7-20/h10,12-13H,3-9H2,1-2H3,(H,18,23,24).
What are the key properties of 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 348.41 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 74690415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).