6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine

C16H17N5O — CID 94145823

IUPAC6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine
SMILESCOc1ccc([C@@H]2CCCN2c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C16H17N5O/c1-22-12-6-4-11(5-7-12)13-3-2-8-21(13)16-14-15(18-9-17-14)19-10-20-16/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyHQGLJBJNFQNIDY-ZDUSSCGKSA-N
MW295.35 g/mol
LogP2.70
Rot. Bonds3

About 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine

6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine (PubChem CID 94145823) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine
PubChem CID94145823
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine
SMILESCOc1ccc([C@@H]2CCCN2c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C16H17N5O/c1-22-12-6-4-11(5-7-12)13-3-2-8-21(13)16-14-15(18-9-17-14)19-10-20-16/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyHQGLJBJNFQNIDY-ZDUSSCGKSA-N
XLogP2.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-phenylpyrrolidin-1-yl)-7H-purine
CID 172882054
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407661
6-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 67314760
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-7H-purin-6-amine
CID 133315969
6-[(3S,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-7H-purine;dihydrochloride
CID 171330744
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 55090578
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67446424
6-[2-(1-naphthalen-1-yloxyethyl)pyrrolidin-1-yl]-7H-purine
CID 123696018
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-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine (CID 94145823) is 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine is COc1ccc([C@@H]2CCCN2c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine?
The InChIKey is HQGLJBJNFQNIDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-12-6-4-11(5-7-12)13-3-2-8-21(13)16-14-15(18-9-17-14)19-10-20-16/h4-7,9-10,13H,2-3,8H2,1H3,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine?
6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine has a molecular weight of 295.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 94145823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).