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

C11H17N5O3 — CID 82464322

IUPAC3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione
SMILESCNc1nc2c(c(=O)[nH]c(=O)n2CCCOC)n1C
InChIInChI=1S/C11H17N5O3/c1-12-10-13-8-7(15(10)2)9(17)14-11(18)16(8)5-4-6-19-3/h4-6H2,1-3H3,(H,12,13)(H,14,17,18)
InChIKeyOAPDNTRKBIENNR-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.50
Rot. Bonds5

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

3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione (PubChem CID 82464322) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione.

Molecular Properties

Compound Name3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione
PubChem CID82464322
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione
SMILESCNc1nc2c(c(=O)[nH]c(=O)n2CCCOC)n1C
InChIInChI=1S/C11H17N5O3/c1-12-10-13-8-7(15(10)2)9(17)14-11(18)16(8)5-4-6-19-3/h4-6H2,1-3H3,(H,12,13)(H,14,17,18)
InChIKeyOAPDNTRKBIENNR-UHFFFAOYSA-N
XLogP-0.50
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(ethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464323
8-(2-aminoethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464328
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
3-(3-methoxypropyl)-7-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464324
8-(3-hydroxypropylamino)-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82464244
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075
3-(3-methoxypropyl)-7-methyl-8-pyrrolidin-2-ylpurine-2,6-dione
CID 82464321
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 7025678
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 82464133
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
7-ethyl-8-(2-hydroxyethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465462

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione?
The IUPAC name of 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione (CID 82464322) is 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione.
What is the SMILES notation for 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione?
The canonical SMILES for 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione is CNc1nc2c(c(=O)[nH]c(=O)n2CCCOC)n1C.
What is the InChIKey of 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione?
The InChIKey is OAPDNTRKBIENNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-12-10-13-8-7(15(10)2)9(17)14-11(18)16(8)5-4-6-19-3/h4-6H2,1-3H3,(H,12,13)(H,14,17,18).
What are the key properties of 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione?
3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione has a molecular weight of 267.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-7-methyl-8-(methylamino)purine-2,6-dione is sourced from PubChem (CID 82464322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).