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

C19H28N6O — CID 18646157

IUPAC[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESNc1nc(NC2CCCCCCC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1
InChIInChI=1S/C19H28N6O/c20-19-23-17(22-14-6-4-2-1-3-5-7-14)16-18(24-19)25(12-21-16)15-9-8-13(10-15)11-26/h8-9,12-15,26H,1-7,10-11H2,(H3,20,22,23,24)/t13-,15+/m0/s1
InChIKeyACUUFFUBJQHESL-DZGCQCFKSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds4

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

[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (PubChem CID 18646157) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
PubChem CID18646157
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESNc1nc(NC2CCCCCCC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1
InChIInChI=1S/C19H28N6O/c20-19-23-17(22-14-6-4-2-1-3-5-7-14)16-18(24-19)25(12-21-16)15-9-8-13(10-15)11-26/h8-9,12-15,26H,1-7,10-11H2,(H3,20,22,23,24)/t13-,15+/m0/s1
InChIKeyACUUFFUBJQHESL-DZGCQCFKSA-N
XLogP3.04
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
[(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride
CID 71312693
[(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-[(1R,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]ethanesulfonic acid
CID 124647264
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
2-[[2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]propane-1,3-diol
CID 19822751
2-[[2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]ethane-1,1-diol
CID 156545360
[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 137385142
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] dodecanedioate
CID 90667035
bis[[(1R,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] nonanedioate
CID 102224483
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 509526
[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822706

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (CID 18646157) is [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is Nc1nc(NC2CCCCCCC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1.
What is the InChIKey of [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The InChIKey is ACUUFFUBJQHESL-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H28N6O/c20-19-23-17(22-14-6-4-2-1-3-5-7-14)16-18(24-19)25(12-21-16)15-9-8-13(10-15)11-26/h8-9,12-15,26H,1-7,10-11H2,(H3,20,22,23,24)/t13-,15+/m0/s1.
What are the key properties of [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 18646157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).