7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione

C14H21N5O4 — CID 4906288

IUPAC7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
SMILESCOCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H21N5O4/c1-17-12-11(13(20)16-14(17)21)19(5-6-22-2)10(15-12)9-18-3-7-23-8-4-18/h3-9H2,1-2H3,(H,16,20,21)
InChIKeyNMPKQCVDHDARPP-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.10
Rot. Bonds5

About 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione

7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione (PubChem CID 4906288) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
PubChem CID4906288
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
SMILESCOCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H21N5O4/c1-17-12-11(13(20)16-14(17)21)19(5-6-22-2)10(15-12)9-18-3-7-23-8-4-18/h3-9H2,1-2H3,(H,16,20,21)
InChIKeyNMPKQCVDHDARPP-UHFFFAOYSA-N
XLogP-1.10
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CID 16616161
7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
CID 4897081
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2988615
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-oxopropyl)purine-2,6-dione
CID 4908681
ethyl 4-[(7-butyl-3-methyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate
CID 3241068
3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-propylpurine-2,6-dione
CID 4569857
8-(3,5-dimethylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3157419
7-[(4-fluorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione
CID 82018567
7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
CID 4901472

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione (CID 4906288) is 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione is COCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione?
The InChIKey is NMPKQCVDHDARPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-17-12-11(13(20)16-14(17)21)19(5-6-22-2)10(15-12)9-18-3-7-23-8-4-18/h3-9H2,1-2H3,(H,16,20,21).
What are the key properties of 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione?
7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione has a molecular weight of 323.35 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 4906288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).