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

C15H18N4O3 — CID 14154537

IUPAC8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCC)c1=O
InChIInChI=1S/C15H18N4O3/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyXJBFUWXRIXHYGK-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.97
Rot. Bonds5

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

8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 14154537) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID14154537
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCC)c1=O
InChIInChI=1S/C15H18N4O3/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyXJBFUWXRIXHYGK-UHFFFAOYSA-N
XLogP1.97
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 14154537) is 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCC)c1=O.
What is the InChIKey of 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is XJBFUWXRIXHYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 302.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 14154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).