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

C17H29N5O3 — CID 74480209

IUPAC8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
SMILESCC(C)CN1C(CN2CC(C)OC(C)C2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C17H29N5O3/c1-10(2)6-22-13(9-21-7-11(3)25-12(4)8-21)18-15-14(22)16(23)19-17(24)20(15)5/h10-12,14-15H,6-9H2,1-5H3,(H,19,23,24)
InChIKeyALDIYHYKBZSGNM-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.34
Rot. Bonds4

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

8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione (PubChem CID 74480209) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
PubChem CID74480209
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
SMILESCC(C)CN1C(CN2CC(C)OC(C)C2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C17H29N5O3/c1-10(2)6-22-13(9-21-7-11(3)25-12(4)8-21)18-15-14(22)16(23)19-17(24)20(15)5/h10-12,14-15H,6-9H2,1-5H3,(H,19,23,24)
InChIKeyALDIYHYKBZSGNM-UHFFFAOYSA-N
XLogP0.34
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-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

8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 74690112
3-methyl-8-[[3-methyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]sulfanyl]-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 78372999
ethyl 2-[4-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetate
CID 73327369
3-methyl-7-(3-methylbutyl)-8-(3-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione
CID 78210709
7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)-4,5-dihydropurine-2,6-dione
CID 74716811
8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(3-phenylpropyl)-4,5-dihydropurine-2,6-dione
CID 74582087
methyl 2-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetate
CID 74691455
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(2-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione
CID 73282185
3-methyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 78212634
8-butyl-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 75609018
8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-ethoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74574042
8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 45043469

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione (CID 74480209) is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione is CC(C)CN1C(CN2CC(C)OC(C)C2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
The InChIKey is ALDIYHYKBZSGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-10(2)6-22-13(9-21-7-11(3)25-12(4)8-21)18-15-14(22)16(23)19-17(24)20(15)5/h10-12,14-15H,6-9H2,1-5H3,(H,19,23,24).
What are the key properties of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione has a molecular weight of 351.45 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 74480209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).