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

C17H26N6O3 — CID 74690417

IUPAC4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCOCC1
InChIInChI=1S/C17H26N6O3/c1-11-12(2)23-13-14(20(3)17(25)19-15(13)24)18-16(23)22(11)6-4-5-21-7-9-26-10-8-21/h13-14H,4-10H2,1-3H3,(H,19,24,25)
InChIKeyZCBXJPFCYQKVOP-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.18
Rot. Bonds4

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

4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 74690417) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID74690417
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCOCC1
InChIInChI=1S/C17H26N6O3/c1-11-12(2)23-13-14(20(3)17(25)19-15(13)24)18-16(23)22(11)6-4-5-21-7-9-26-10-8-21/h13-14H,4-10H2,1-3H3,(H,19,24,25)
InChIKeyZCBXJPFCYQKVOP-UHFFFAOYSA-N
XLogP-0.18
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
4,7,8-Trimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73258412

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 74690417) is 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN1CCOCC1.
What is the InChIKey of 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is ZCBXJPFCYQKVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-11-12(2)23-13-14(20(3)17(25)19-15(13)24)18-16(23)22(11)6-4-5-21-7-9-26-10-8-21/h13-14H,4-10H2,1-3H3,(H,19,24,25).
What are the key properties of 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 362.43 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyl-6-(3-morpholin-4-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 74690417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).