6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine

C26H34N6O2 — CID 130424192

IUPAC6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
SMILESCCOC1CCN(C2CCc3cccc(OC[C@H]4CCCN4c4ncnc5nc[nH]c45)c3C2)C1
InChIInChI=1S/C26H34N6O2/c1-2-33-21-10-12-31(14-21)19-9-8-18-5-3-7-23(22(18)13-19)34-15-20-6-4-11-32(20)26-24-25(28-16-27-24)29-17-30-26/h3,5,7,16-17,19-21H,2,4,6,8-15H2,1H3,(H,27,28,29,30)/t19?,20-,21?/m1/s1
InChIKeyFCNZRKIYPZIPRM-NYLDSWQDSA-N
MW462.60 g/mol
LogP3.37
Rot. Bonds7

About 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine

6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine (PubChem CID 130424192) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
PubChem CID130424192
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
SMILESCCOC1CCN(C2CCc3cccc(OC[C@H]4CCCN4c4ncnc5nc[nH]c45)c3C2)C1
InChIInChI=1S/C26H34N6O2/c1-2-33-21-10-12-31(14-21)19-9-8-18-5-3-7-23(22(18)13-19)34-15-20-6-4-11-32(20)26-24-25(28-16-27-24)29-17-30-26/h3,5,7,16-17,19-21H,2,4,6,8-15H2,1H3,(H,27,28,29,30)/t19?,20-,21?/m1/s1
InChIKeyFCNZRKIYPZIPRM-NYLDSWQDSA-N
XLogP3.37
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 67445125
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67446424
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-ol;6-pyrrolidin-1-yl-7H-purine
CID 143922951
8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 44553051
6-[(2R)-2-[[(6S)-6-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 135293861
3-amino-4-oxo-4-[8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 67445465
(3S)-3-amino-4-oxo-4-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 58483924
8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol
CID 67446443
6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 118084731
2-[1-oxo-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-2-ylidene]acetic acid
CID 123676927
6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 58534769

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine (CID 130424192) is 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine is CCOC1CCN(C2CCc3cccc(OC[C@H]4CCCN4c4ncnc5nc[nH]c45)c3C2)C1.
What is the InChIKey of 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
The InChIKey is FCNZRKIYPZIPRM-NYLDSWQDSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-2-33-21-10-12-31(14-21)19-9-8-18-5-3-7-23(22(18)13-19)34-15-20-6-4-11-32(20)26-24-25(28-16-27-24)29-17-30-26/h3,5,7,16-17,19-21H,2,4,6,8-15H2,1H3,(H,27,28,29,30)/t19?,20-,21?/m1/s1.
What are the key properties of 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine has a molecular weight of 462.60 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[[7-(3-ethoxypyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 130424192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).