1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione

C23H24N4O2 — CID 10949114

IUPAC1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione
SMILESO=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C23H24N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2
InChIKeyFTEIUMZWLUBTGL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.44
Rot. Bonds4

About 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione

1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione (PubChem CID 10949114) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione
PubChem CID10949114
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione
SMILESO=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CCCCC1
InChIInChI=1S/C23H24N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2
InChIKeyFTEIUMZWLUBTGL-UHFFFAOYSA-N
XLogP3.44
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione?
The IUPAC name of 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione (CID 10949114) is 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione is O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CCCCC1.
What is the InChIKey of 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione?
The InChIKey is FTEIUMZWLUBTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2.
What are the key properties of 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione?
1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(cyclohexylmethyl)purino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 10949114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).