8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione

C19H32N6O4 — CID 74443574

IUPAC8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione
SMILESCC1CN(CC2=NC3C(C(=O)NC(=O)N3C)N2CCN2CCOCC2)CC(C)O1
InChIInChI=1S/C19H32N6O4/c1-13-10-24(11-14(2)29-13)12-15-20-17-16(18(26)21-19(27)22(17)3)25(15)5-4-23-6-8-28-9-7-23/h13-14,16-17H,4-12H2,1-3H3,(H,21,26,27)
InChIKeyQVJVAVHYQLSRTE-UHFFFAOYSA-N
MW408.50 g/mol
LogP-0.98
Rot. Bonds5

About 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione

8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione (PubChem CID 74443574) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione
PubChem CID74443574
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione
SMILESCC1CN(CC2=NC3C(C(=O)NC(=O)N3C)N2CCN2CCOCC2)CC(C)O1
InChIInChI=1S/C19H32N6O4/c1-13-10-24(11-14(2)29-13)12-15-20-17-16(18(26)21-19(27)22(17)3)25(15)5-4-23-6-8-28-9-7-23/h13-14,16-17H,4-12H2,1-3H3,(H,21,26,27)
InChIKeyQVJVAVHYQLSRTE-UHFFFAOYSA-N
XLogP-0.98
TPSA89.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-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
Ethyl 4-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]methyl]piperazine-1-carboxylate
CID 73281550

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione (CID 74443574) is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione is CC1CN(CC2=NC3C(C(=O)NC(=O)N3C)N2CCN2CCOCC2)CC(C)O1.
What is the InChIKey of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione?
The InChIKey is QVJVAVHYQLSRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-13-10-24(11-14(2)29-13)12-15-20-17-16(18(26)21-19(27)22(17)3)25(15)5-4-23-6-8-28-9-7-23/h13-14,16-17H,4-12H2,1-3H3,(H,21,26,27).
What are the key properties of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione?
8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione has a molecular weight of 408.50 g/mol, XLogP of -0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 74443574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).