methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate

C17H25N5O5 — CID 96529359

IUPACmethyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1
InChIInChI=1S/C17H25N5O5/c1-19-11-18-15-14(19)16(24)22(17(25)20(15)2)6-4-5-21-7-8-27-12(10-21)9-13(23)26-3/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyPSADFUXUVOVZLP-GFCCVEGCSA-N
MW379.42 g/mol
LogP-0.91
Rot. Bonds6

About methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate

methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate (PubChem CID 96529359) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate
PubChem CID96529359
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC Namemethyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1
InChIInChI=1S/C17H25N5O5/c1-19-11-18-15-14(19)16(24)22(17(25)20(15)2)6-4-5-21-7-8-27-12(10-21)9-13(23)26-3/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyPSADFUXUVOVZLP-GFCCVEGCSA-N
XLogP-0.91
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
N-cyclopropyl-2-[4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]piperazin-1-yl]acetamide
CID 78826422
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-(oxiran-2-yl)propyl]purine-2,6-dione
CID 54391228
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanal
CID 54527415
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 55848555
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
ethyl 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoate
CID 10852312
3-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]cyclobutane-1-carboxylic acid
CID 175025506
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate (CID 96529359) is methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate is COC(=O)C[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1.
What is the InChIKey of methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate?
The InChIKey is PSADFUXUVOVZLP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-19-11-18-15-14(19)16(24)22(17(25)20(15)2)6-4-5-21-7-8-27-12(10-21)9-13(23)26-3/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate?
methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate has a molecular weight of 379.42 g/mol, XLogP of -0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-4-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]morpholin-2-yl]acetate is sourced from PubChem (CID 96529359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).