6-(2-phenylpyrrolidin-1-yl)-7H-purine

C15H15N5 — CID 172882054

IUPAC6-(2-phenylpyrrolidin-1-yl)-7H-purine
SMILESc1ccc(C2CCCN2c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C15H15N5/c1-2-5-11(6-3-1)12-7-4-8-20(12)15-13-14(17-9-16-13)18-10-19-15/h1-3,5-6,9-10,12H,4,7-8H2,(H,16,17,18,19)
InChIKeySIKQRYYVFJTKIO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.69
Rot. Bonds2

About 6-(2-phenylpyrrolidin-1-yl)-7H-purine

6-(2-phenylpyrrolidin-1-yl)-7H-purine (PubChem CID 172882054) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-(2-phenylpyrrolidin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(2-phenylpyrrolidin-1-yl)-7H-purine
PubChem CID172882054
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name6-(2-phenylpyrrolidin-1-yl)-7H-purine
SMILESc1ccc(C2CCCN2c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C15H15N5/c1-2-5-11(6-3-1)12-7-4-8-20(12)15-13-14(17-9-16-13)18-10-19-15/h1-3,5-6,9-10,12H,4,7-8H2,(H,16,17,18,19)
InChIKeySIKQRYYVFJTKIO-UHFFFAOYSA-N
XLogP2.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-7H-purine
CID 94145823
3-phenyl-2-[1-(7H-purin-6-yl)pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557639
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
4-oxo-3-phenyl-2-[(2S)-1-(7H-purin-6-yl)pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 118446040
2-chloro-N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline
CID 67314434
6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67446424
5-iodo-4-(2-phenylpyrrolidin-1-yl)pyrimidine
CID 66339955
N-(2-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
CID 67314836
5-chloro-3-piperidin-1-yl-2-[(2S)-1-(7H-purin-6-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 78321934
N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 55090578
2-phenyl-4-(7H-purin-6-yl)thiomorpholine
CID 75431449

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylpyrrolidin-1-yl)-7H-purine?
The IUPAC name of 6-(2-phenylpyrrolidin-1-yl)-7H-purine (CID 172882054) is 6-(2-phenylpyrrolidin-1-yl)-7H-purine.
What is the SMILES notation for 6-(2-phenylpyrrolidin-1-yl)-7H-purine?
The canonical SMILES for 6-(2-phenylpyrrolidin-1-yl)-7H-purine is c1ccc(C2CCCN2c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-(2-phenylpyrrolidin-1-yl)-7H-purine?
The InChIKey is SIKQRYYVFJTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-5-11(6-3-1)12-7-4-8-20(12)15-13-14(17-9-16-13)18-10-19-15/h1-3,5-6,9-10,12H,4,7-8H2,(H,16,17,18,19).
What are the key properties of 6-(2-phenylpyrrolidin-1-yl)-7H-purine?
6-(2-phenylpyrrolidin-1-yl)-7H-purine has a molecular weight of 265.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylpyrrolidin-1-yl)-7H-purine is sourced from PubChem (CID 172882054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).