7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione

C10H15N5O3 — CID 652075

IUPAC7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
SMILESCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC
InChIInChI=1S/C10H15N5O3/c1-11-9-12-7-6(15(9)4-5-18-3)8(16)13-10(17)14(7)2/h4-5H2,1-3H3,(H,11,12)(H,13,16,17)
InChIKeyNINGSMBCCRCAJD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.89
Rot. Bonds4

About 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione

7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione (PubChem CID 652075) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
PubChem CID652075
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
SMILESCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC
InChIInChI=1S/C10H15N5O3/c1-11-9-12-7-6(15(9)4-5-18-3)8(16)13-10(17)14(7)2/h4-5H2,1-3H3,(H,11,12)(H,13,16,17)
InChIKeyNINGSMBCCRCAJD-UHFFFAOYSA-N
XLogP-0.89
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
N-methyl-2-[3-methyl-8-(methylamino)-2,6-dioxopurin-7-yl]acetamide
CID 27370815
8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 5235990
3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione
CID 82464322
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 7025678
8-[2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123520
7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2988615
7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
CID 706629
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
8-(3,5-dimethylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3157419
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244
8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 645373

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione (CID 652075) is 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione is CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC.
What is the InChIKey of 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione?
The InChIKey is NINGSMBCCRCAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-11-9-12-7-6(15(9)4-5-18-3)8(16)13-10(17)14(7)2/h4-5H2,1-3H3,(H,11,12)(H,13,16,17).
What are the key properties of 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione?
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione is sourced from PubChem (CID 652075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).