(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol

C10H12N6O — CID 57488425

IUPAC(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
SMILESNc1nc(N)c2ncn([C@H]3C=C[C@@H](O)C3)c2n1
InChIInChI=1S/C10H12N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-1-2-6(17)3-5/h1-2,4-6,17H,3H2,(H4,11,12,14,15)/t5-,6+/m0/s1
InChIKeyBXPNKZFLTBFGKY-NTSWFWBYSA-N
MW232.25 g/mol
LogP-0.15
Rot. Bonds1

About (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol

(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol (PubChem CID 57488425) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
PubChem CID57488425
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
SMILESNc1nc(N)c2ncn([C@H]3C=C[C@@H](O)C3)c2n1
InChIInChI=1S/C10H12N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-1-2-6(17)3-5/h1-2,4-6,17H,3H2,(H4,11,12,14,15)/t5-,6+/m0/s1
InChIKeyBXPNKZFLTBFGKY-NTSWFWBYSA-N
XLogP-0.15
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.15
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

[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
methyl 6-amino-9-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]purine-2-carboxylate
CID 143260287
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
[(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,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
CID 110129701
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550
[(E)-2-[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-hydroxyoxolan-2-yl]ethenyl]phosphonic acid
CID 25152136
N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine
CID 156801960

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol (CID 57488425) is (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol is Nc1nc(N)c2ncn([C@H]3C=C[C@@H](O)C3)c2n1.
What is the InChIKey of (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol?
The InChIKey is BXPNKZFLTBFGKY-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-1-2-6(17)3-5/h1-2,4-6,17H,3H2,(H4,11,12,14,15)/t5-,6+/m0/s1.
What are the key properties of (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol?
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol has a molecular weight of 232.25 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 57488425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).