6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione

C23H25N5O2 — CID 6497196

IUPAC6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1
InChIInChI=1S/C23H25N5O2/c1-16-15-27-19-20(24-22(27)28(16)18-12-6-7-13-18)25(2)23(30)26(21(19)29)14-8-11-17-9-4-3-5-10-17/h3-5,8-11,15,18H,6-7,12-14H2,1-2H3/b11-8+
InChIKeyNDPNBNKXVXPUSL-DHZHZOJOSA-N
MW403.49 g/mol
LogP3.29
Rot. Bonds4

About 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione

6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione (PubChem CID 6497196) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
PubChem CID6497196
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1
InChIInChI=1S/C23H25N5O2/c1-16-15-27-19-20(24-22(27)28(16)18-12-6-7-13-18)25(2)23(30)26(21(19)29)14-8-11-17-9-4-3-5-10-17/h3-5,8-11,15,18H,6-7,12-14H2,1-2H3/b11-8+
InChIKeyNDPNBNKXVXPUSL-DHZHZOJOSA-N
XLogP3.29
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

6-cyclohexyl-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione
CID 6492610
6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 6497182
6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 71962384
6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 4885633
6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 6463293
4-[4,7-dimethyl-1,3-dioxo-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazol-6-yl]benzenesulfonamide
CID 16626473
(4R)-3,4,9-trimethyl-7-[(E)-3-phenylprop-2-enyl]-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 40798045
7-tert-butyl-4-methyl-2-[(E)-3-phenylprop-2-enyl]purino[8,7-b][1,3]oxazole-1,3-dione
CID 16810814
4,7,8-trimethyl-6-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
CID 16626487
4,7-dimethyl-2-prop-2-enyl-6-[(1S,5R)-3,3,5-trimethylcyclohexyl]purino[7,8-a]imidazole-1,3-dione
CID 7520614
6-benzyl-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 16615195
4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 6228817

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione (CID 6497196) is 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione?
The InChIKey is NDPNBNKXVXPUSL-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-15-27-19-20(24-22(27)28(16)18-12-6-7-13-18)25(2)23(30)26(21(19)29)14-8-11-17-9-4-3-5-10-17/h3-5,8-11,15,18H,6-7,12-14H2,1-2H3/b11-8+.
What are the key properties of 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione?
6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione has a molecular weight of 403.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6497196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).