1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione

C11H13N5O2 — CID 129048192

IUPAC1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione
SMILESCc1[nH]c2nc3c(c(=O)n2c1C)n(C)c(=O)n3C
InChIInChI=1S/C11H13N5O2/c1-5-6(2)16-9(17)7-8(13-10(16)12-5)15(4)11(18)14(7)3/h1-4H3,(H,12,13)
InChIKeyUDMRNQKKYNFLHD-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.17
Rot. Bonds

About 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione

1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione (PubChem CID 129048192) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione.

Molecular Properties

Compound Name1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione
PubChem CID129048192
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione
SMILESCc1[nH]c2nc3c(c(=O)n2c1C)n(C)c(=O)n3C
InChIInChI=1S/C11H13N5O2/c1-5-6(2)16-9(17)7-8(13-10(16)12-5)15(4)11(18)14(7)3/h1-4H3,(H,12,13)
InChIKeyUDMRNQKKYNFLHD-UHFFFAOYSA-N
XLogP-0.17
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione?
The IUPAC name of 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione (CID 129048192) is 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione.
What is the SMILES notation for 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione?
The canonical SMILES for 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione is Cc1[nH]c2nc3c(c(=O)n2c1C)n(C)c(=O)n3C.
What is the InChIKey of 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione?
The InChIKey is UDMRNQKKYNFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-5-6(2)16-9(17)7-8(13-10(16)12-5)15(4)11(18)14(7)3/h1-4H3,(H,12,13).
What are the key properties of 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione?
1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione has a molecular weight of 247.26 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,7-tetramethyl-5H-imidazo[1,2-a]purine-2,9-dione is sourced from PubChem (CID 129048192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).