8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione

C15H15N5O2 — CID 71946934

IUPAC8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N)n2CC=Cc1ccccc1
InChIInChI=1S/C15H15N5O2/c1-19-12-11(13(21)18-15(19)22)20(14(16)17-12)9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H2,16,17)(H,18,21,22)
InChIKeyLSRKWMPZFNIYDA-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.72
Rot. Bonds3

About 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione

8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione (PubChem CID 71946934) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione.

Molecular Properties

Compound Name8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione
PubChem CID71946934
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N)n2CC=Cc1ccccc1
InChIInChI=1S/C15H15N5O2/c1-19-12-11(13(21)18-15(19)22)20(14(16)17-12)9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H2,16,17)(H,18,21,22)
InChIKeyLSRKWMPZFNIYDA-UHFFFAOYSA-N
XLogP0.72
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-8-(4-methylpiperazin-1-yl)-7-(3-phenylprop-2-enyl)purine-2,6-dione
CID 4892462
3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione
CID 66485657
3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione
CID 16619060
8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione
CID 71962550
7-[(4-fluorophenyl)methyl]-3-methyl-8-[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]purine-2,6-dione
CID 16810664
8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 787610
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]purine-2,6-dione
CID 16618578
8-amino-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 66485201
8-amino-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 776805
8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
CID 5149414
3-methyl-8-phenylsulfanyl-7-prop-2-enylpurine-2,6-dione
CID 1092001

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione?
The IUPAC name of 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione (CID 71946934) is 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione.
What is the SMILES notation for 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione?
The canonical SMILES for 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(N)n2CC=Cc1ccccc1.
What is the InChIKey of 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione?
The InChIKey is LSRKWMPZFNIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19-12-11(13(21)18-15(19)22)20(14(16)17-12)9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H2,16,17)(H,18,21,22).
What are the key properties of 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione?
8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione has a molecular weight of 297.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione is sourced from PubChem (CID 71946934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).