8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione

C14H20N6O3 — CID 74806737

IUPAC8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCOCCN1C(n2nc(C)cc2C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H20N6O3/c1-8-7-9(2)20(17-8)13-15-11-10(19(13)5-6-23-4)12(21)16-14(22)18(11)3/h7,10-11H,5-6H2,1-4H3,(H,16,21,22)
InChIKeyPZMWDLVFGVMJDL-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.46
Rot. Bonds3

About 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione

8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 74806737) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID74806737
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCOCCN1C(n2nc(C)cc2C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H20N6O3/c1-8-7-9(2)20(17-8)13-15-11-10(19(13)5-6-23-4)12(21)16-14(22)18(11)3/h7,10-11H,5-6H2,1-4H3,(H,16,21,22)
InChIKeyPZMWDLVFGVMJDL-UHFFFAOYSA-N
XLogP-0.46
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)-4,5-dihydropurine-2,6-dione
CID 74806738
8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 78201584
7-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303873
8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 73329035
8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 167999169
8-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74717489
7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 73338334
7-(2-methoxyethyl)-3-methyl-8-octylsulfanyl-4,5-dihydropurine-2,6-dione
CID 78303853
7-(2-methoxyethyl)-3-methyl-8-(2-piperidin-1-ylethylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78296134
7-(2-methoxyethyl)-3-methyl-8-(naphthalen-1-ylmethylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78375153
8-(2-methoxyethylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)-4,5-dihydropurine-2,6-dione
CID 78304634
benzyl 2-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]sulfanyl]acetate
CID 78303869

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione (CID 74806737) is 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione is COCCN1C(n2nc(C)cc2C)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is PZMWDLVFGVMJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-8-7-9(2)20(17-8)13-15-11-10(19(13)5-6-23-4)12(21)16-14(22)18(11)3/h7,10-11H,5-6H2,1-4H3,(H,16,21,22).
What are the key properties of 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione?
8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 320.35 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 74806737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).