8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione

C15H21N7O2 — CID 167948148

IUPAC8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCCn1ccnc1CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H21N7O2/c1-5-22-7-6-16-11(22)9-19(2)8-10-17-12-13(18-10)20(3)15(24)21(4)14(12)23/h6-7H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyGZIYAKDDMGWBLS-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.19
Rot. Bonds5

About 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione

8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 167948148) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID167948148
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCCn1ccnc1CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H21N7O2/c1-5-22-7-6-16-11(22)9-19(2)8-10-17-12-13(18-10)20(3)15(24)21(4)14(12)23/h6-7H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyGZIYAKDDMGWBLS-UHFFFAOYSA-N
XLogP-0.19
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-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

Frequently Asked Questions

What is the IUPAC name of 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione (CID 167948148) is 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione is CCn1ccnc1CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is GZIYAKDDMGWBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-5-22-7-6-16-11(22)9-19(2)8-10-17-12-13(18-10)20(3)15(24)21(4)14(12)23/h6-7H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione?
8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 331.38 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 167948148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).