[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol

C16H22N6O — CID 57063501

IUPAC[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESCCN(c1nc(N)nc2c1ncn2[C@@H]1C=C[C@H](CO)C1)C1CC1
InChIInChI=1S/C16H22N6O/c1-2-21(11-5-6-11)14-13-15(20-16(17)19-14)22(9-18-13)12-4-3-10(7-12)8-23/h3-4,9-12,23H,2,5-8H2,1H3,(H2,17,19,20)/t10-,12+/m0/s1
InChIKeyJTYZNTWFNOXPQW-CMPLNLGQSA-N
MW314.39 g/mol
LogP1.51
Rot. Bonds5

About [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol (PubChem CID 57063501) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
PubChem CID57063501
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESCCN(c1nc(N)nc2c1ncn2[C@@H]1C=C[C@H](CO)C1)C1CC1
InChIInChI=1S/C16H22N6O/c1-2-21(11-5-6-11)14-13-15(20-16(17)19-14)22(9-18-13)12-4-3-10(7-12)8-23/h3-4,9-12,23H,2,5-8H2,1H3,(H2,17,19,20)/t10-,12+/m0/s1
InChIKeyJTYZNTWFNOXPQW-CMPLNLGQSA-N
XLogP1.51
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol with MolForge

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Related Compounds

[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646989
[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 19822746
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797601
[4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822707
[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
CID 156801971
[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 137385142
2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purine-6-carboxylic acid
CID 156545301
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
[(1S,4R)-4-(2-amino-6-butylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797300
[4-(2-amino-6-butylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822747

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol (CID 57063501) is [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol is CCN(c1nc(N)nc2c1ncn2[C@@H]1C=C[C@H](CO)C1)C1CC1.
What is the InChIKey of [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol?
The InChIKey is JTYZNTWFNOXPQW-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-21(11-5-6-11)14-13-15(20-16(17)19-14)22(9-18-13)12-4-3-10(7-12)8-23/h3-4,9-12,23H,2,5-8H2,1H3,(H2,17,19,20)/t10-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol has a molecular weight of 314.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 57063501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).