8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione

C17H20N8O4 — CID 3056912

IUPAC8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCCC(c1nc2c([nH]1)c(=O)n(C)c(=O)n2C)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H20N8O4/c1-6-7(10-18-8-12(20-10)22(2)16(28)24(4)14(8)26)11-19-9-13(21-11)23(3)17(29)25(5)15(9)27/h7H,6H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyGQNCSFVBQPCHQA-UHFFFAOYSA-N
MW400.40 g/mol
LogP-1.22
Rot. Bonds3

About 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione

8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 3056912) has the molecular formula C17H20N8O4 and a molecular weight of 400.40 g/mol. Its IUPAC name is 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID3056912
Molecular FormulaC17H20N8O4
Molecular Weight400.40 g/mol
Exact Mass400.16
IUPAC Name8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCCC(c1nc2c([nH]1)c(=O)n(C)c(=O)n2C)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H20N8O4/c1-6-7(10-18-8-12(20-10)22(2)16(28)24(4)14(8)26)11-19-9-13(21-11)23(3)17(29)25(5)15(9)27/h7H,6H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyGQNCSFVBQPCHQA-UHFFFAOYSA-N
XLogP-1.22
TPSA145.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione (CID 3056912) is 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione is CCC(c1nc2c([nH]1)c(=O)n(C)c(=O)n2C)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is GQNCSFVBQPCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O4/c1-6-7(10-18-8-12(20-10)22(2)16(28)24(4)14(8)26)11-19-9-13(21-11)23(3)17(29)25(5)15(9)27/h7H,6H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione?
8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 400.40 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 3056912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).