9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine

C13H17N5 — CID 124606574

IUPAC9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2[C@H]1C=CCCC1
InChIInChI=1S/C13H17N5/c1-17(2)12-11-13(15-8-14-12)18(9-16-11)10-6-4-3-5-7-10/h4,6,8-10H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyMRUNKAJRAGSRMG-JTQLQIEISA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds2

About 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine

9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine (PubChem CID 124606574) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine
PubChem CID124606574
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2[C@H]1C=CCCC1
InChIInChI=1S/C13H17N5/c1-17(2)12-11-13(15-8-14-12)18(9-16-11)10-6-4-3-5-7-10/h4,6,8-10H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyMRUNKAJRAGSRMG-JTQLQIEISA-N
XLogP2.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
(1R,2R,3R,5R)-3-[6-(dimethylamino)purin-9-yl]cycloheptane-1,2,5-triol
CID 10566661
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
CID 170064725
2-amino-9-cyclohex-2-en-1-yl-1H-purin-6-one
CID 136682612
(2R,3S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90084187
[cyclopentyl-(9-cyclopentylpurin-6-yl)amino]methanol
CID 174369638
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
(2R,3R,4S,5S)-4-(dimethylamino)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 102504508
(2R,3S,4S,5R)-5-[6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 144683634
(2S)-2-amino-N-[(1S,2R,3S)-3-[6-(dimethylamino)purin-9-yl]-2-hydroxycyclohexyl]-N-(4-methoxyphenyl)propanamide
CID 90673299
[(3aR,4R,6R,6aS)-4-[6-(dimethylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 162858832

Frequently Asked Questions

What is the IUPAC name of 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine (CID 124606574) is 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine is CN(C)c1ncnc2c1ncn2[C@H]1C=CCCC1.
What is the InChIKey of 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine?
The InChIKey is MRUNKAJRAGSRMG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5/c1-17(2)12-11-13(15-8-14-12)18(9-16-11)10-6-4-3-5-7-10/h4,6,8-10H,3,5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine?
9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine has a molecular weight of 243.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R)-cyclohex-2-en-1-yl]-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 124606574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).