4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione

C10H17N5O2 — CID 150948037

IUPAC4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C)C=NC2(N(C)C)N(C)C1=O
InChIInChI=1S/C10H17N5O2/c1-12(2)10-7(13(3)6-11-10)8(16)14(4)9(17)15(10)5/h6-7H,1-5H3
InChIKeyLJMGIDQZLQXUTO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.93
Rot. Bonds1

About 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione

4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione (PubChem CID 150948037) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione.

Molecular Properties

Compound Name4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione
PubChem CID150948037
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione
SMILESCN1C(=O)C2N(C)C=NC2(N(C)C)N(C)C1=O
InChIInChI=1S/C10H17N5O2/c1-12(2)10-7(13(3)6-11-10)8(16)14(4)9(17)15(10)5/h6-7H,1-5H3
InChIKeyLJMGIDQZLQXUTO-UHFFFAOYSA-N
XLogP-0.93
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
1,3,7-Trimethylxanthine, TMS
CID 427849
7-(3-Hydroxypropyl)-1,3-dimethyl-1,3,4,5,7-pentahydropurine-2,6-dione
CID 5028327
8-(dimethylamino)-3-ethyl-1-propyl-5H-purine-2,6-dione
CID 163663150
1-(5-Fluorohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 118505248
1,3-Dimethyl-7-(2,2,2-trifluoroethyl)-4,5-dihydropurine-2,6-dione
CID 124086900
1,7-dimethyl-5H-purine-2,6-dione
CID 24870807
1,3,5,7-tetramethyl-4H-purine-2,6-dione
CID 151924081
3,7-Dimethyl-1-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 135044914
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1,3,9-Trimethyl-2,6-dioxo-4,5-dihydropurine-8-carbaldehyde
CID 138981866

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione?
The IUPAC name of 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione (CID 150948037) is 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione.
What is the SMILES notation for 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione?
The canonical SMILES for 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione is CN1C(=O)C2N(C)C=NC2(N(C)C)N(C)C1=O.
What is the InChIKey of 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione?
The InChIKey is LJMGIDQZLQXUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-12(2)10-7(13(3)6-11-10)8(16)14(4)9(17)15(10)5/h6-7H,1-5H3.
What are the key properties of 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione?
4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione has a molecular weight of 239.28 g/mol, XLogP of -0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,3,7-trimethyl-5H-purine-2,6-dione is sourced from PubChem (CID 150948037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).