7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione

C12H19N5O2 — CID 66709883

IUPAC7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1ncn2C(C)N(C)C
InChIInChI=1S/C12H19N5O2/c1-5-6-16-10-9(11(18)14-12(16)19)17(7-13-10)8(2)15(3)4/h7-8H,5-6H2,1-4H3,(H,14,18,19)
InChIKeyGWRIDBSTHZAKQA-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.38
Rot. Bonds4

About 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione

7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione (PubChem CID 66709883) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione
PubChem CID66709883
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1ncn2C(C)N(C)C
InChIInChI=1S/C12H19N5O2/c1-5-6-16-10-9(11(18)14-12(16)19)17(7-13-10)8(2)15(3)4/h7-8H,5-6H2,1-4H3,(H,14,18,19)
InChIKeyGWRIDBSTHZAKQA-UHFFFAOYSA-N
XLogP0.38
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione?
The IUPAC name of 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione (CID 66709883) is 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione?
The canonical SMILES for 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1ncn2C(C)N(C)C.
What is the InChIKey of 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione?
The InChIKey is GWRIDBSTHZAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-5-6-16-10-9(11(18)14-12(16)19)17(7-13-10)8(2)15(3)4/h7-8H,5-6H2,1-4H3,(H,14,18,19).
What are the key properties of 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione?
7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(dimethylamino)ethyl]-3-propylpurine-2,6-dione is sourced from PubChem (CID 66709883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).