6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine

C20H19N5O — CID 44553226

IUPAC6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
SMILESc1ccc2c(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)/t15-/m1/s1
InChIKeyDUYDXTWDEKJZHW-OAHLLOKOSA-N
MW345.41 g/mol
LogP3.55
Rot. Bonds4

About 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine

6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine (PubChem CID 44553226) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
PubChem CID44553226
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
SMILESc1ccc2c(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)/t15-/m1/s1
InChIKeyDUYDXTWDEKJZHW-OAHLLOKOSA-N
XLogP3.55
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine (CID 44553226) is 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine is c1ccc2c(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)cccc2c1.
What is the InChIKey of 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
The InChIKey is DUYDXTWDEKJZHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)/t15-/m1/s1.
What are the key properties of 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine?
6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine has a molecular weight of 345.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 44553226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).