6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine

C23H25N5O2 — CID 58534769

IUPAC6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
SMILESCC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1
InChIInChI=1S/C23H25N5O2/c1-15(2)30-18-9-8-16-5-3-7-20(19(16)11-18)29-12-17-6-4-10-28(17)23-21-22(25-13-24-21)26-14-27-23/h3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/t17-/m1/s1
InChIKeyYECIGAZJSMWZFO-QGZVFWFLSA-N
MW403.49 g/mol
LogP4.34
Rot. Bonds6

About 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine

6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine (PubChem CID 58534769) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
PubChem CID58534769
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
SMILESCC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1
InChIInChI=1S/C23H25N5O2/c1-15(2)30-18-9-8-16-5-3-7-20(19(16)11-18)29-12-17-6-4-10-28(17)23-21-22(25-13-24-21)26-14-27-23/h3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/t17-/m1/s1
InChIKeyYECIGAZJSMWZFO-QGZVFWFLSA-N
XLogP4.34
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine (CID 58534769) is 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine is CC(C)Oc1ccc2cccc(OC[C@H]3CCCN3c3ncnc4nc[nH]c34)c2c1.
What is the InChIKey of 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine?
The InChIKey is YECIGAZJSMWZFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(2)30-18-9-8-16-5-3-7-20(19(16)11-18)29-12-17-6-4-10-28(17)23-21-22(25-13-24-21)26-14-27-23/h3,5,7-9,11,13-15,17H,4,6,10,12H2,1-2H3,(H,24,25,26,27)/t17-/m1/s1.
What are the key properties of 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine?
6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine has a molecular weight of 403.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 58534769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).