7-ethyl-3-propylpurine-2,6-dione

C10H14N4O2 — CID 10376254

IUPAC7-ethyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1ncn2CC
InChIInChI=1S/C10H14N4O2/c1-3-5-14-8-7(9(15)12-10(14)16)13(4-2)6-11-8/h6H,3-5H2,1-2H3,(H,12,15,16)
InChIKeyBYOGTVLYVWFFPC-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.32
Rot. Bonds3

About 7-ethyl-3-propylpurine-2,6-dione

7-ethyl-3-propylpurine-2,6-dione (PubChem CID 10376254) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 7-ethyl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-3-propylpurine-2,6-dione
PubChem CID10376254
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name7-ethyl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1ncn2CC
InChIInChI=1S/C10H14N4O2/c1-3-5-14-8-7(9(15)12-10(14)16)13(4-2)6-11-8/h6H,3-5H2,1-2H3,(H,12,15,16)
InChIKeyBYOGTVLYVWFFPC-UHFFFAOYSA-N
XLogP0.32
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-propylpurine-2,6-dione?
The IUPAC name of 7-ethyl-3-propylpurine-2,6-dione (CID 10376254) is 7-ethyl-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-ethyl-3-propylpurine-2,6-dione?
The canonical SMILES for 7-ethyl-3-propylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1ncn2CC.
What is the InChIKey of 7-ethyl-3-propylpurine-2,6-dione?
The InChIKey is BYOGTVLYVWFFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-5-14-8-7(9(15)12-10(14)16)13(4-2)6-11-8/h6H,3-5H2,1-2H3,(H,12,15,16).
What are the key properties of 7-ethyl-3-propylpurine-2,6-dione?
7-ethyl-3-propylpurine-2,6-dione has a molecular weight of 222.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-propylpurine-2,6-dione is sourced from PubChem (CID 10376254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).