3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine

C20H27N5O2 — CID 141034102

IUPAC3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine
SMILESCCNC1=NCN(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc[nH]c21
InChIInChI=1S/C20H27N5O2/c1-3-21-19-18-20(23-12-22-18)25(13-24-19)11-14-8-9-16(26-2)17(10-14)27-15-6-4-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFVFPLALANJUGFP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.07
Rot. Bonds6

About 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine

3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine (PubChem CID 141034102) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine.

Molecular Properties

Compound Name3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine
PubChem CID141034102
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine
SMILESCCNC1=NCN(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc[nH]c21
InChIInChI=1S/C20H27N5O2/c1-3-21-19-18-20(23-12-22-18)25(13-24-19)11-14-8-9-16(26-2)17(10-14)27-15-6-4-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFVFPLALANJUGFP-UHFFFAOYSA-N
XLogP3.07
TPSA74.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)-7H-purine-2-thione
CID 18473646
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purine-2,6-dithione
CID 18473623
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine
CID 139709496
N-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpyridin-4-amine
CID 67197649
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene
CID 158580176
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine?
The IUPAC name of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine (CID 141034102) is 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine.
What is the SMILES notation for 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine?
The canonical SMILES for 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine is CCNC1=NCN(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc[nH]c21.
What is the InChIKey of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine?
The InChIKey is FVFPLALANJUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-21-19-18-20(23-12-22-18)25(13-24-19)11-14-8-9-16(26-2)17(10-14)27-15-6-4-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine?
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine has a molecular weight of 369.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-2,7-dihydropurin-6-amine is sourced from PubChem (CID 141034102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).