2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione

C10H11N5O2 — CID 3162667

IUPAC2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)[nH]1
InChIInChI=1S/C10H11N5O2/c1-5-4-15-6-7(12-9(15)11-5)13(2)10(17)14(3)8(6)16/h4H,1-3H3,(H,11,12)
InChIKeyUCRWKJWWUYKFAC-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.48
Rot. Bonds

About 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione

2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione (PubChem CID 3162667) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione
PubChem CID3162667
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)[nH]1
InChIInChI=1S/C10H11N5O2/c1-5-4-15-6-7(12-9(15)11-5)13(2)10(17)14(3)8(6)16/h4H,1-3H3,(H,11,12)
InChIKeyUCRWKJWWUYKFAC-UHFFFAOYSA-N
XLogP-0.48
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5H,10H-Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione
CID 1051510
N(2),3-ethenoguanine
CID 176480
(E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 5389846
1,3-Dipropyl-8-pyrazin-2-yl-3,7-dihydro-purine-2,6-dione
CID 14000474
(11R,15S)-4-(1H-imidazol-2-ylmethyl)-8-methyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
CID 10543051
8-(1H-imidazol-1-yl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 653281
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-allyl-1,7-dimethyl-
CID 3069972
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(2-hydroxyethyl)-
CID 3069974
7-(2-Hydroxyethyl)-8-{[3-(1H-imidazol-1-YL)propyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CID 3729775
1,N2-Ethenoguanine
CID 124322
8-(3-imidazol-1-ylpropyl)-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155540193
1,3-Dipropyl-8-[1,2,5]thiadiazol-3-yl-3,7-dihydro-purine-2,6-dione; Hydrate
CID 136034795

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione (CID 3162667) is 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione is Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)[nH]1.
What is the InChIKey of 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione?
The InChIKey is UCRWKJWWUYKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-5-4-15-6-7(12-9(15)11-5)13(2)10(17)14(3)8(6)16/h4H,1-3H3,(H,11,12).
What are the key properties of 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione?
2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione has a molecular weight of 233.23 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-6H-purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3162667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).