1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione

C17H27N5O3 — CID 109398346

IUPAC1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione
SMILESCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC1CCCC1O
InChIInChI=1S/C17H27N5O3/c1-19(10-12-6-4-7-13(12)23)8-5-9-22-16(24)14-15(18-11-20(14)2)21(3)17(22)25/h11-13,23H,4-10H2,1-3H3
InChIKeyZJXOVVWEWZBQPY-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.08
Rot. Bonds6

About 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione

1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione (PubChem CID 109398346) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione
PubChem CID109398346
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione
SMILESCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC1CCCC1O
InChIInChI=1S/C17H27N5O3/c1-19(10-12-6-4-7-13(12)23)8-5-9-22-16(24)14-15(18-11-20(14)2)21(3)17(22)25/h11-13,23H,4-10H2,1-3H3
InChIKeyZJXOVVWEWZBQPY-UHFFFAOYSA-N
XLogP-0.08
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,7-dimethyl-1-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]purine-2,6-dione
CID 95584239
2-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 43052600
1-[3-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]propyl]-3,7-dimethylpurine-2,6-dione
CID 95904328
1-[3-[2-hydroxypropyl(propan-2-yl)amino]propyl]-3,7-dimethylpurine-2,6-dione
CID 111108127
1-[2-(4-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione
CID 129099904
3,7-dimethyl-1-[3-[methyl(2-phenoxyethyl)amino]propyl]purine-2,6-dione
CID 86911040
3,7-dimethyl-1-[3-(2-methylpiperidin-1-yl)propyl]purine-2,6-dione
CID 56810324
3,7-dimethyl-1-[3-(oxiran-2-yl)propyl]purine-2,6-dione
CID 54391228
1-[3-[bis(2-methoxyethyl)amino]propyl]-3,7-dimethylpurine-2,6-dione
CID 78821497
3-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]cyclobutane-1-carboxylic acid
CID 175025506
1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione
CID 109397805
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione (CID 109398346) is 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione is CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC1CCCC1O.
What is the InChIKey of 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione?
The InChIKey is ZJXOVVWEWZBQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19(10-12-6-4-7-13(12)23)8-5-9-22-16(24)14-15(18-11-20(14)2)21(3)17(22)25/h11-13,23H,4-10H2,1-3H3.
What are the key properties of 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione?
1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione has a molecular weight of 349.44 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxycyclopentyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 109398346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).