8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

C19H25N5O3 — CID 645373

IUPAC8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
SMILESCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
InChIInChI=1S/C19H25N5O3/c1-23-16-15(17(25)22-19(23)26)24(18(21-16)20-11-7-13-27-2)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,20,21)(H,22,25,26)
InChIKeyUMRGHGAXWBFUTG-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.50
Rot. Bonds9

About 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione (PubChem CID 645373) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
PubChem CID645373
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
SMILESCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
InChIInChI=1S/C19H25N5O3/c1-23-16-15(17(25)22-19(23)26)24(18(21-16)20-11-7-13-27-2)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,20,21)(H,22,25,26)
InChIKeyUMRGHGAXWBFUTG-UHFFFAOYSA-N
XLogP1.50
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione with MolForge

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Related Compounds

7-benzyl-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
CID 3157431
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 7025678
7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
CID 3153000
8-(2-benzylidenehydrazinyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 3811766
7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-phenylethylamino)purine-2,6-dione
CID 986806
8-(3-ethoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 3392963
8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 5235990
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712
methyl (2S)-2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate
CID 988092
3-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile
CID 3101070
8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
CID 5440226
7-(2-methoxyethyl)-3-methyl-8-(methylamino)purine-2,6-dione
CID 652075

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
The IUPAC name of 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione (CID 645373) is 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
What is the SMILES notation for 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
The canonical SMILES for 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione is COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1.
What is the InChIKey of 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
The InChIKey is UMRGHGAXWBFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23-16-15(17(25)22-19(23)26)24(18(21-16)20-11-7-13-27-2)12-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,20,21)(H,22,25,26).
What are the key properties of 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione?
8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione has a molecular weight of 371.44 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione is sourced from PubChem (CID 645373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).