3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione

C23H34N10O6 — CID 73284412

IUPAC3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(N1CCOCC1)N2CCCN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C23H34N10O6/c1-28-16-14(18(34)26-22(28)36)32(20(24-16)30-6-10-38-11-7-30)4-3-5-33-15-17(29(2)23(37)27-19(15)35)25-21(33)31-8-12-39-13-9-31/h14-17H,3-13H2,1-2H3,(H,26,34,36)(H,27,35,37)
InChIKeyNJIIWMXJSYOPLZ-UHFFFAOYSA-N
MW546.59 g/mol
LogP-2.86
Rot. Bonds4

About 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione

3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione (PubChem CID 73284412) has the molecular formula C23H34N10O6 and a molecular weight of 546.59 g/mol. Its IUPAC name is 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
PubChem CID73284412
Molecular FormulaC23H34N10O6
Molecular Weight546.59 g/mol
Exact Mass546.27
IUPAC Name3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(N1CCOCC1)N2CCCN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C23H34N10O6/c1-28-16-14(18(34)26-22(28)36)32(20(24-16)30-6-10-38-11-7-30)4-3-5-33-15-17(29(2)23(37)27-19(15)35)25-21(33)31-8-12-39-13-9-31/h14-17H,3-13H2,1-2H3,(H,26,34,36)(H,27,35,37)
InChIKeyNJIIWMXJSYOPLZ-UHFFFAOYSA-N
XLogP-2.86
TPSA154.96 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.59
LogP ≤ 5-2.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[3-methyl-7-(2-morpholin-4-ylethyl)-2,6-dioxo-4,5-dihydropurin-8-yl]methyl]piperazine-1-carboxylate
CID 73282226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione (CID 73284412) is 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione is CN1C(=O)NC(=O)C2C1N=C(N1CCOCC1)N2CCCN1C(N2CCOCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is NJIIWMXJSYOPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N10O6/c1-28-16-14(18(34)26-22(28)36)32(20(24-16)30-6-10-38-11-7-30)4-3-5-33-15-17(29(2)23(37)27-19(15)35)25-21(33)31-8-12-39-13-9-31/h14-17H,3-13H2,1-2H3,(H,26,34,36)(H,27,35,37).
What are the key properties of 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione?
3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 546.59 g/mol, XLogP of -2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[3-(3-methyl-8-morpholin-4-yl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73284412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).