8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

C19H20N4O3 — CID 15750278

IUPAC8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc4ccccc4o3)nc2n(CCC)c1=O
InChIInChI=1S/C19H20N4O3/c1-3-9-22-17-15(18(24)23(10-4-2)19(22)25)20-16(21-17)14-11-12-7-5-6-8-13(12)26-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyIJQATWJGFBRCTO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.12
Rot. Bonds5

About 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione

8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 15750278) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID15750278
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cc4ccccc4o3)nc2n(CCC)c1=O
InChIInChI=1S/C19H20N4O3/c1-3-9-22-17-15(18(24)23(10-4-2)19(22)25)20-16(21-17)14-11-12-7-5-6-8-13(12)26-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyIJQATWJGFBRCTO-UHFFFAOYSA-N
XLogP3.12
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 15750278) is 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3cc4ccccc4o3)nc2n(CCC)c1=O.
What is the InChIKey of 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is IJQATWJGFBRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-9-22-17-15(18(24)23(10-4-2)19(22)25)20-16(21-17)14-11-12-7-5-6-8-13(12)26-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21).
What are the key properties of 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 352.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzofuran-2-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 15750278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).