3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione

C17H27N5O3 — CID 95143078

IUPAC3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione
SMILESC[C@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC(C)(C)O1
InChIInChI=1S/C17H27N5O3/c1-12-9-21(10-17(2,3)25-12)7-6-8-22-15(23)13-14(18-11-19(13)4)20(5)16(22)24/h11-12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyKSWMRVGMZVSMLW-LBPRGKRZSA-N
MW349.44 g/mol
LogP0.32
Rot. Bonds4

About 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione

3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione (PubChem CID 95143078) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione
PubChem CID95143078
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione
SMILESC[C@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC(C)(C)O1
InChIInChI=1S/C17H27N5O3/c1-12-9-21(10-17(2,3)25-12)7-6-8-22-15(23)13-14(18-11-19(13)4)20(5)16(22)24/h11-12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyKSWMRVGMZVSMLW-LBPRGKRZSA-N
XLogP0.32
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione with MolForge

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Related Compounds

3,7-dimethyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione
CID 54391228
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
1-[3-[3-(2-aminoethyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604418
3,7-dimethyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione
CID 15885496
3,7-dimethyl-1-[16-(oxiran-2-yl)hexadecyl]purine-2,6-dione
CID 19098209
3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione
CID 56810324
methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate
CID 96529359
1-(7-bromoheptyl)-3,7-dimethylpurine-2,6-dione
CID 23313665
3,7-dimethyl-1-(11-nitrosododecyl)purine-2,6-dione
CID 91024621
3-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]cyclobutane-1-carboxylic acid
CID 175025506
N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide
CID 78826422
11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanal
CID 54527415

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione?
The IUPAC name of 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione (CID 95143078) is 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione is C[C@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC(C)(C)O1.
What is the InChIKey of 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione?
The InChIKey is KSWMRVGMZVSMLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12-9-21(10-17(2,3)25-12)7-6-8-22-15(23)13-14(18-11-19(13)4)20(5)16(22)24/h11-12H,6-10H2,1-5H3/t12-/m0/s1.
What are the key properties of 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione?
3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione has a molecular weight of 349.44 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione is sourced from PubChem (CID 95143078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).