[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol

C12H18N6O — CID 102426371

IUPAC[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
SMILESNc1nc(N)c2ncn(C[C@@H]3CCC[C@@H]3CO)c2n1
InChIInChI=1S/C12H18N6O/c13-10-9-11(17-12(14)16-10)18(6-15-9)4-7-2-1-3-8(7)5-19/h6-8,19H,1-5H2,(H4,13,14,16,17)/t7-,8+/m0/s1
InChIKeyJTXMMDUNZFYBTK-JGVFFNPUSA-N
MW262.32 g/mol
LogP0.40
Rot. Bonds3

About [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol

[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol (PubChem CID 102426371) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
PubChem CID102426371
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
SMILESNc1nc(N)c2ncn(C[C@@H]3CCC[C@@H]3CO)c2n1
InChIInChI=1S/C12H18N6O/c13-10-9-11(17-12(14)16-10)18(6-15-9)4-7-2-1-3-8(7)5-19/h6-8,19H,1-5H2,(H4,13,14,16,17)/t7-,8+/m0/s1
InChIKeyJTXMMDUNZFYBTK-JGVFFNPUSA-N
XLogP0.40
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
[(1S,2R)-2-[(6-chloropurin-9-yl)methyl]cyclopentyl]methanol
CID 15450648
[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15333850
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
[2-[(2-amino-6-chloropurin-9-yl)methyl]cyclohexyl]methyl benzoate
CID 54004815
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
CID 110129701
9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
CID 167978863
9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
CID 174450493

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol (CID 102426371) is [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol is Nc1nc(N)c2ncn(C[C@@H]3CCC[C@@H]3CO)c2n1.
What is the InChIKey of [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol?
The InChIKey is JTXMMDUNZFYBTK-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H18N6O/c13-10-9-11(17-12(14)16-10)18(6-15-9)4-7-2-1-3-8(7)5-19/h6-8,19H,1-5H2,(H4,13,14,16,17)/t7-,8+/m0/s1.
What are the key properties of [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol?
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol has a molecular weight of 262.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 102426371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).