2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid

C14H21N5O5 — CID 74415397

IUPAC2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid
SMILESCC1CN(C2=NC3C(C(=O)NC(=O)N3C)N2CC(=O)O)CC(C)O1
InChIInChI=1S/C14H21N5O5/c1-7-4-18(5-8(2)24-7)13-15-11-10(19(13)6-9(20)21)12(22)16-14(23)17(11)3/h7-8,10-11H,4-6H2,1-3H3,(H,20,21)(H,16,22,23)
InChIKeyVZORYANQNIYSPV-UHFFFAOYSA-N
MW339.35 g/mol
LogP-1.27
Rot. Bonds2

About 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid

2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid (PubChem CID 74415397) has the molecular formula C14H21N5O5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid
PubChem CID74415397
Molecular FormulaC14H21N5O5
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid
SMILESCC1CN(C2=NC3C(C(=O)NC(=O)N3C)N2CC(=O)O)CC(C)O1
InChIInChI=1S/C14H21N5O5/c1-7-4-18(5-8(2)24-7)13-15-11-10(19(13)6-9(20)21)12(22)16-14(23)17(11)3/h7-8,10-11H,4-6H2,1-3H3,(H,20,21)(H,16,22,23)
InChIKeyVZORYANQNIYSPV-UHFFFAOYSA-N
XLogP-1.27
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)propanoate
CID 118471983
methyl 2-(1-methyl-2,6-dioxo-4,5-dihydro-3H-purin-7-yl)propanoate
CID 118471984
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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid?
The IUPAC name of 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid (CID 74415397) is 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid.
What is the SMILES notation for 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid?
The canonical SMILES for 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid is CC1CN(C2=NC3C(C(=O)NC(=O)N3C)N2CC(=O)O)CC(C)O1.
What is the InChIKey of 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid?
The InChIKey is VZORYANQNIYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5/c1-7-4-18(5-8(2)24-7)13-15-11-10(19(13)6-9(20)21)12(22)16-14(23)17(11)3/h7-8,10-11H,4-6H2,1-3H3,(H,20,21)(H,16,22,23).
What are the key properties of 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid?
2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid has a molecular weight of 339.35 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid is sourced from PubChem (CID 74415397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).