8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione

C14H14N4O2 — CID 15627855

IUPAC8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione
SMILESCCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O
InChIInChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
InChIKeyLNATVXLECNOWHK-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.49
Rot. Bonds3

About 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione

8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione (PubChem CID 15627855) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione
PubChem CID15627855
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione
SMILESCCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O
InChIInChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
InChIKeyLNATVXLECNOWHK-UHFFFAOYSA-N
XLogP1.49
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione (CID 15627855) is 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione is CCCn1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O.
What is the InChIKey of 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione?
The InChIKey is LNATVXLECNOWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20).
What are the key properties of 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione?
8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione has a molecular weight of 270.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1-propyl-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 15627855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).