8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione

C15H20N6O2 — CID 16856662

IUPAC8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione
SMILESCCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC)n1
InChIInChI=1S/C15H20N6O2/c1-5-9-8-10(6-2)21(18-9)14-16-12-11(20(14)7-3)13(22)17-15(23)19(12)4/h8H,5-7H2,1-4H3,(H,17,22,23)
InChIKeyNMDGIRPYVICKOC-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.75
Rot. Bonds4

About 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione

8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione (PubChem CID 16856662) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione
PubChem CID16856662
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione
SMILESCCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC)n1
InChIInChI=1S/C15H20N6O2/c1-5-9-8-10(6-2)21(18-9)14-16-12-11(20(14)7-3)13(22)17-15(23)19(12)4/h8H,5-7H2,1-4H3,(H,17,22,23)
InChIKeyNMDGIRPYVICKOC-UHFFFAOYSA-N
XLogP0.75
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-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

8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 16856674
8-(3,5-diethylpyrazol-1-yl)-7-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione
CID 42065507
7-ethyl-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione
CID 16812237
8-(3,5-diethylpyrazol-1-yl)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
CID 16857228
8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione
CID 648642
1-[(E)-but-2-enyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
CID 16856733
7-ethyl-3-methyl-8-[(3R)-3-methylpiperidin-1-yl]purine-2,6-dione
CID 40692634
7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
CID 677004
8-(dibutylamino)-7-ethyl-3-methylpurine-2,6-dione
CID 3097484
3-methyl-7-(2-phenylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione
CID 16855795
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
8-benzylsulfanyl-7-ethyl-3-methylpurine-2,6-dione
CID 678087

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
The IUPAC name of 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione (CID 16856662) is 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
The canonical SMILES for 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione is CCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC)n1.
What is the InChIKey of 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
The InChIKey is NMDGIRPYVICKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-5-9-8-10(6-2)21(18-9)14-16-12-11(20(14)7-3)13(22)17-15(23)19(12)4/h8H,5-7H2,1-4H3,(H,17,22,23).
What are the key properties of 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione?
8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione has a molecular weight of 316.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 16856662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).