2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine

C12H15N5 — CID 157012415

IUPAC2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine
SMILESCn1cnc2cnc(N3C[C@@H]4CCC[C@@H]43)nc21
InChIInChI=1S/C12H15N5/c1-16-7-14-9-5-13-12(15-11(9)16)17-6-8-3-2-4-10(8)17/h5,7-8,10H,2-4,6H2,1H3/t8-,10-/m0/s1
InChIKeyXAYFOEWZVCLAIM-WPRPVWTQSA-N
MW229.29 g/mol
LogP1.35
Rot. Bonds1

About 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine

2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine (PubChem CID 157012415) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine.

Molecular Properties

Compound Name2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine
PubChem CID157012415
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine
SMILESCn1cnc2cnc(N3C[C@@H]4CCC[C@@H]43)nc21
InChIInChI=1S/C12H15N5/c1-16-7-14-9-5-13-12(15-11(9)16)17-6-8-3-2-4-10(8)17/h5,7-8,10H,2-4,6H2,1H3/t8-,10-/m0/s1
InChIKeyXAYFOEWZVCLAIM-WPRPVWTQSA-N
XLogP1.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine 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

N-[[(1R,2S,8R,9S)-11-(9-methylpurin-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169413181
ethane;9-methylpurin-2-amine
CID 143911812
9-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]purine
CID 157018227
2-(4-benzhydrylpiperazin-1-yl)-9-methylpurine
CID 3052976
1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 157017615
N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
CID 157018162
6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
CID 124872852
1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]
CID 157013063
3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
CID 178146534
2-(3,5-difluorophenyl)-9-methylpurine
CID 162629271
(4aR,8aR)-1-(5-bromopyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 97061975
5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole
CID 130617041

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine?
The IUPAC name of 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine (CID 157012415) is 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine.
What is the SMILES notation for 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine?
The canonical SMILES for 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine is Cn1cnc2cnc(N3C[C@@H]4CCC[C@@H]43)nc21.
What is the InChIKey of 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine?
The InChIKey is XAYFOEWZVCLAIM-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H15N5/c1-16-7-14-9-5-13-12(15-11(9)16)17-6-8-3-2-4-10(8)17/h5,7-8,10H,2-4,6H2,1H3/t8-,10-/m0/s1.
What are the key properties of 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine?
2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine has a molecular weight of 229.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine is sourced from PubChem (CID 157012415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).