6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine

C27H32N6O2 — CID 118084731

IUPAC6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
SMILESCC(C)OC1CCN(c2ccc3cccc(OC[C@H]4CCCN4c4ncnc5nc[nH]c45)c3c2)C1
InChIInChI=1S/C27H32N6O2/c1-18(2)35-22-10-12-32(14-22)20-9-8-19-5-3-7-24(23(19)13-20)34-15-21-6-4-11-33(21)27-25-26(29-16-28-25)30-17-31-27/h3,5,7-9,13,16-18,21-22H,4,6,10-12,14-15H2,1-2H3,(H,28,29,30,31)/t21-,22?/m1/s1
InChIKeyNFUYHIAMJWRLCP-ZMFCMNQTSA-N
MW472.59 g/mol
LogP4.56
Rot. Bonds7

About 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine

6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine (PubChem CID 118084731) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
PubChem CID118084731
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine
SMILESCC(C)OC1CCN(c2ccc3cccc(OC[C@H]4CCCN4c4ncnc5nc[nH]c45)c3c2)C1
InChIInChI=1S/C27H32N6O2/c1-18(2)35-22-10-12-32(14-22)20-9-8-19-5-3-7-24(23(19)13-20)34-15-21-6-4-11-33(21)27-25-26(29-16-28-25)30-17-31-27/h3,5,7-9,13,16-18,21-22H,4,6,10-12,14-15H2,1-2H3,(H,28,29,30,31)/t21-,22?/m1/s1
InChIKeyNFUYHIAMJWRLCP-ZMFCMNQTSA-N
XLogP4.56
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 58534769
N-ethyl-4-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazine-1-carboxamide
CID 67447374
8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-ol
CID 67446443
6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67446424
2-[[4-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazine-1-carbonyl]amino]butanoic acid
CID 67448234
tert-butyl N-[2-oxo-2-[4-[8-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]piperazin-1-yl]ethyl]carbamate
CID 76800275
6-[2-[(7-nitronaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 67446046
8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 44553051
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
4-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline
CID 67446413
tert-butyl (3S)-3-(2-amino-2-oxoethyl)-4-oxo-5-[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]pentanoate
CID 58483840
tert-butyl N-[(2S)-5-amino-1,5-dioxo-1-[[8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]amino]pentan-2-yl]carbamate
CID 70245858

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine (CID 118084731) is 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine is CC(C)OC1CCN(c2ccc3cccc(OC[C@H]4CCCN4c4ncnc5nc[nH]c45)c3c2)C1.
What is the InChIKey of 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
The InChIKey is NFUYHIAMJWRLCP-ZMFCMNQTSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-18(2)35-22-10-12-32(14-22)20-9-8-19-5-3-7-24(23(19)13-20)34-15-21-6-4-11-33(21)27-25-26(29-16-28-25)30-17-31-27/h3,5,7-9,13,16-18,21-22H,4,6,10-12,14-15H2,1-2H3,(H,28,29,30,31)/t21-,22?/m1/s1.
What are the key properties of 6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine?
6-[(2R)-2-[[7-(3-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine has a molecular weight of 472.59 g/mol, XLogP of 4.56, 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-propan-2-yloxypyrrolidin-1-yl)naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 118084731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).