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

C15H25N5O3 — CID 7025678

IUPAC8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
SMILESCCCCCn1c(NCCCOC)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H25N5O3/c1-4-5-6-9-20-11-12(19(2)15(22)18-13(11)21)17-14(20)16-8-7-10-23-3/h4-10H2,1-3H3,(H,16,17)(H,18,21,22)
InChIKeyLCBIELIHMJEJOP-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.06
Rot. Bonds9

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

8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione (PubChem CID 7025678) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione.

Molecular Properties

Compound Name8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
PubChem CID7025678
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
SMILESCCCCCn1c(NCCCOC)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H25N5O3/c1-4-5-6-9-20-11-12(19(2)15(22)18-13(11)21)17-14(20)16-8-7-10-23-3/h4-10H2,1-3H3,(H,16,17)(H,18,21,22)
InChIKeyLCBIELIHMJEJOP-UHFFFAOYSA-N
XLogP1.06
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.06
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-(3-ethoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione
CID 3392963
8-(2-hydroxyethylamino)-3-methyl-7-nonylpurine-2,6-dione
CID 44892318
8-(3-methoxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 645373
7-benzyl-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
CID 3157431
8-(hexylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 3825464
7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione
CID 663235
8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
CID 5235990
3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione
CID 3696919
7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
CID 3153000
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-(ethylamino)-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82464323

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione?
The IUPAC name of 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione (CID 7025678) is 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione.
What is the SMILES notation for 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione?
The canonical SMILES for 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione is CCCCCn1c(NCCCOC)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione?
The InChIKey is LCBIELIHMJEJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-4-5-6-9-20-11-12(19(2)15(22)18-13(11)21)17-14(20)16-8-7-10-23-3/h4-10H2,1-3H3,(H,16,17)(H,18,21,22).
What are the key properties of 8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione?
8-(3-methoxypropylamino)-3-methyl-7-pentylpurine-2,6-dione has a molecular weight of 323.40 g/mol, XLogP of 1.06, 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-pentylpurine-2,6-dione is sourced from PubChem (CID 7025678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).