2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione

C16H24FN5O3 — CID 156747532

IUPAC2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione
SMILESCCCCn1c(=O)n(C2CC(F)C(CCC)O2)c2nc(N)[nH]c(=O)c21
InChIInChI=1S/C16H24FN5O3/c1-3-5-7-21-12-13(19-15(18)20-14(12)23)22(16(21)24)11-8-9(17)10(25-11)6-4-2/h9-11H,3-8H2,1-2H3,(H3,18,19,20,23)
InChIKeyZTJLBOLLFWUWBR-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.69
Rot. Bonds6

About 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione

2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione (PubChem CID 156747532) has the molecular formula C16H24FN5O3 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione.

Molecular Properties

Compound Name2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione
PubChem CID156747532
Molecular FormulaC16H24FN5O3
Molecular Weight353.40 g/mol
Exact Mass353.19
IUPAC Name2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione
SMILESCCCCn1c(=O)n(C2CC(F)C(CCC)O2)c2nc(N)[nH]c(=O)c21
InChIInChI=1S/C16H24FN5O3/c1-3-5-7-21-12-13(19-15(18)20-14(12)23)22(16(21)24)11-8-9(17)10(25-11)6-4-2/h9-11H,3-8H2,1-2H3,(H3,18,19,20,23)
InChIKeyZTJLBOLLFWUWBR-UHFFFAOYSA-N
XLogP1.69
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-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

[(2R,3S,4S,5R)-2-[2-acetamido-6,8-dioxo-7-(2,2,2-trifluoroethyl)-1H-purin-9-yl]-4-fluoro-5-propyloxolan-3-yl] acetate
CID 156404742
2-amino-7-butyl-9-[(2R,3S,4R)-4-fluoro-3-hydroxy-5-propyloxolan-2-yl]-1H-purine-6,8-dione
CID 156404758
2-amino-7-propyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435210
2-amino-9-[(4R)-4-fluoro-5-propyloxolan-2-yl]-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156435220
N-[2-amino-5-[butyl(methyl)amino]-6-oxo-1H-pyrimidin-4-yl]-N-(4-fluoro-5-propyloxolan-2-yl)formamide
CID 156435258
2-amino-9-(4-fluoro-5-propyloxolan-2-yl)-7-prop-2-ynyl-1H-purine-6,8-dione
CID 156435314
[(1S)-1-[(2R,3R,5R)-5-(2-acetamido-6,8-dioxo-7-propyl-1H-purin-9-yl)-3-fluorooxolan-2-yl]propyl] acetate
CID 156435320
2-amino-9-[(4R)-4-fluoro-5-propyloxolan-2-yl]-7-propyl-1H-purine-6,8-dione
CID 156435322
N-[2-amino-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-4-yl]-N-[5-(2-fluoroethyl)oxolan-2-yl]formamide
CID 156435629
2-amino-7-(cyclopropylmethyl)-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435669
N-[2-amino-5-[cyclopropylmethyl(methyl)amino]-6-oxo-1H-pyrimidin-4-yl]-N-(4-fluoro-5-propyloxolan-2-yl)formamide
CID 156435678
2-amino-7-prop-2-ynyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435734

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione?
The IUPAC name of 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione (CID 156747532) is 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione.
What is the SMILES notation for 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione?
The canonical SMILES for 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione is CCCCn1c(=O)n(C2CC(F)C(CCC)O2)c2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione?
The InChIKey is ZTJLBOLLFWUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O3/c1-3-5-7-21-12-13(19-15(18)20-14(12)23)22(16(21)24)11-8-9(17)10(25-11)6-4-2/h9-11H,3-8H2,1-2H3,(H3,18,19,20,23).
What are the key properties of 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione?
2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione has a molecular weight of 353.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione is sourced from PubChem (CID 156747532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).