1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione

C9H14N4O2 — CID 58099721

IUPAC1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione
SMILESCC1=NC2C(=O)N(C)C(=O)N(C)C2N1C
InChIInChI=1S/C9H14N4O2/c1-5-10-6-7(11(5)2)12(3)9(15)13(4)8(6)14/h6-7H,1-4H3
InChIKeyJSWCMLJAMMIJQY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.43
Rot. Bonds

About 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione

1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione (PubChem CID 58099721) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione
PubChem CID58099721
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione
SMILESCC1=NC2C(=O)N(C)C(=O)N(C)C2N1C
InChIInChI=1S/C9H14N4O2/c1-5-10-6-7(11(5)2)12(3)9(15)13(4)8(6)14/h6-7H,1-4H3
InChIKeyJSWCMLJAMMIJQY-UHFFFAOYSA-N
XLogP-0.43
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione (CID 58099721) is 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione is CC1=NC2C(=O)N(C)C(=O)N(C)C2N1C.
What is the InChIKey of 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione?
The InChIKey is JSWCMLJAMMIJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-10-6-7(11(5)2)12(3)9(15)13(4)8(6)14/h6-7H,1-4H3.
What are the key properties of 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione?
1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione has a molecular weight of 210.24 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8,9-tetramethyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 58099721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).