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

C17H26N6O2 — CID 73338334

IUPAC7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCCCN1C(n2nc(CC)cc2CC)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C17H26N6O2/c1-5-8-9-22-13-14(21(4)17(25)19-15(13)24)18-16(22)23-12(7-3)10-11(6-2)20-23/h10,13-14H,5-9H2,1-4H3,(H,19,24,25)
InChIKeyHQNDLGLHSVSBKM-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.20
Rot. Bonds5

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

7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 73338334) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID73338334
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCCCN1C(n2nc(CC)cc2CC)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C17H26N6O2/c1-5-8-9-22-13-14(21(4)17(25)19-15(13)24)18-16(22)23-12(7-3)10-11(6-2)20-23/h10,13-14H,5-9H2,1-4H3,(H,19,24,25)
InChIKeyHQNDLGLHSVSBKM-UHFFFAOYSA-N
XLogP1.20
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303122
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
7-dodecyl-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 45053494
3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302969
8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
7-hexadecyl-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 78303401
8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)-4,5-dihydropurine-2,6-dione
CID 74806738
7-butyl-3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4,5-dihydropurine-2,6-dione
CID 73327360
8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-4,5-dihydropurine-2,6-dione
CID 74806737
8-ethylsulfanyl-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302970
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009

Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione (CID 73338334) is 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione is CCCCN1C(n2nc(CC)cc2CC)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is HQNDLGLHSVSBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-8-9-22-13-14(21(4)17(25)19-15(13)24)18-16(22)23-12(7-3)10-11(6-2)20-23/h10,13-14H,5-9H2,1-4H3,(H,19,24,25).
What are the key properties of 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione?
7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 346.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73338334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).