9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine

C12H14ClN5O — CID 142363261

IUPAC9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine
SMILESNc1nc(Cl)c2ncn(C3CC4CCCC4O3)c2n1
InChIInChI=1S/C12H14ClN5O/c13-10-9-11(17-12(14)16-10)18(5-15-9)8-4-6-2-1-3-7(6)19-8/h5-8H,1-4H2,(H2,14,16,17)
InChIKeyYGOOTOQRCDFMMA-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.15
Rot. Bonds1

About 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine

9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine (PubChem CID 142363261) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine.

Molecular Properties

Compound Name9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine
PubChem CID142363261
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine
SMILESNc1nc(Cl)c2ncn(C3CC4CCCC4O3)c2n1
InChIInChI=1S/C12H14ClN5O/c13-10-9-11(17-12(14)16-10)18(5-15-9)8-4-6-2-1-3-7(6)19-8/h5-8H,1-4H2,(H2,14,16,17)
InChIKeyYGOOTOQRCDFMMA-UHFFFAOYSA-N
XLogP2.15
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine 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

6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloropurin-2-amine
CID 56679930
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
[(2R,3S,5S)-3-acetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 87601224
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
[[5-(2-amino-6-chloropurin-9-yl)-3-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123293097
2-[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]propanoic acid
CID 57055659
[[5-(2-amino-6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123616314
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 87735053
(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527

Frequently Asked Questions

What is the IUPAC name of 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine?
The IUPAC name of 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine (CID 142363261) is 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine.
What is the SMILES notation for 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine?
The canonical SMILES for 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine is Nc1nc(Cl)c2ncn(C3CC4CCCC4O3)c2n1.
What is the InChIKey of 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine?
The InChIKey is YGOOTOQRCDFMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-10-9-11(17-12(14)16-10)18(5-15-9)8-4-6-2-1-3-7(6)19-8/h5-8H,1-4H2,(H2,14,16,17).
What are the key properties of 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine?
9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine is sourced from PubChem (CID 142363261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).