N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine

C14H19N7O — CID 156801960

IUPACN-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine
SMILESNc1nc(N2CCCC2)c2ncn(C3C=CC(NO)C3)c2n1
InChIInChI=1S/C14H19N7O/c15-14-17-12(20-5-1-2-6-20)11-13(18-14)21(8-16-11)10-4-3-9(7-10)19-22/h3-4,8-10,19,22H,1-2,5-7H2,(H2,15,17,18)
InChIKeyJSRZTXDBHIGACY-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.86
Rot. Bonds3

About N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine

N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine (PubChem CID 156801960) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine
PubChem CID156801960
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine
SMILESNc1nc(N2CCCC2)c2ncn(C3C=CC(NO)C3)c2n1
InChIInChI=1S/C14H19N7O/c15-14-17-12(20-5-1-2-6-20)11-13(18-14)21(8-16-11)10-4-3-9(7-10)19-22/h3-4,8-10,19,22H,1-2,5-7H2,(H2,15,17,18)
InChIKeyJSRZTXDBHIGACY-UHFFFAOYSA-N
XLogP0.86
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
CID 156801971
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
(3R,4R,5R)-5-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)-4-fluoro-4-methyl-2-methylideneoxolan-3-ol
CID 138619256
[(2S,5R)-5-[2-amino-6-(aziridin-1-yl)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
CID 56967780
4-amino-5-[2-amino-6-(azetidin-1-yl)purin-9-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 77147039
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
CID 174450493
[(1S,4R)-4-[[2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]cyclopent-2-en-1-yl]methanol
CID 171382578
2-[(2S,4R,5R)-5-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)-2,4-difluoro-3-(hydroxymethyl)-4-methyloxolan-2-yl]ethanol
CID 134176318
[4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822707
2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purine-6-carboxylic acid
CID 156545301
[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797601

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine?
The IUPAC name of N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine (CID 156801960) is N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine.
What is the SMILES notation for N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine?
The canonical SMILES for N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine is Nc1nc(N2CCCC2)c2ncn(C3C=CC(NO)C3)c2n1.
What is the InChIKey of N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine?
The InChIKey is JSRZTXDBHIGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c15-14-17-12(20-5-1-2-6-20)11-13(18-14)21(8-16-11)10-4-3-9(7-10)19-22/h3-4,8-10,19,22H,1-2,5-7H2,(H2,15,17,18).
What are the key properties of N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine?
N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine has a molecular weight of 301.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine is sourced from PubChem (CID 156801960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).