ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine

C17H29N5 — CID 143869511

IUPACethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine
SMILESCC.CC.CC1CC=C(n2cnc3c(N)ncnc32)C1(C)C
InChIInChI=1S/C13H17N5.2C2H6/c1-8-4-5-9(13(8,2)3)18-7-17-10-11(14)15-6-16-12(10)18;2*1-2/h5-8H,4H2,1-3H3,(H2,14,15,16);2*1-2H3
InChIKeyTWQUCRCJPZCUIN-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.37
Rot. Bonds1

About ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine

ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine (PubChem CID 143869511) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine.

Molecular Properties

Compound Nameethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine
PubChem CID143869511
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Nameethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine
SMILESCC.CC.CC1CC=C(n2cnc3c(N)ncnc32)C1(C)C
InChIInChI=1S/C13H17N5.2C2H6/c1-8-4-5-9(13(8,2)3)18-7-17-10-11(14)15-6-16-12(10)18;2*1-2/h5-8H,4H2,1-3H3,(H2,14,15,16);2*1-2H3
InChIKeyTWQUCRCJPZCUIN-UHFFFAOYSA-N
XLogP4.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(5S)-4,5-dimethyl-5-propan-2-ylcyclopenten-1-yl]-2-fluoropurin-6-amine
CID 70918459
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol
CID 11253697
9-[(6R,6aS)-2,2,3'-trimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclobutane]-6-yl]purin-6-amine
CID 167591593
9-thiophen-3-ylpurin-6-amine
CID 125496047
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
(1R,2S,4R,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-3-methylbicyclo[3.1.0]hexane-2,3-diol
CID 59157757
9-[[(3aS,5R,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]purin-6-amine
CID 101070451
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
CID 11230472
1-[(3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethanone
CID 170375320

Frequently Asked Questions

What is the IUPAC name of ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine?
The IUPAC name of ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine (CID 143869511) is ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine.
What is the SMILES notation for ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine?
The canonical SMILES for ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine is CC.CC.CC1CC=C(n2cnc3c(N)ncnc32)C1(C)C.
What is the InChIKey of ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine?
The InChIKey is TWQUCRCJPZCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.2C2H6/c1-8-4-5-9(13(8,2)3)18-7-17-10-11(14)15-6-16-12(10)18;2*1-2/h5-8H,4H2,1-3H3,(H2,14,15,16);2*1-2H3.
What are the key properties of ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine?
ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine has a molecular weight of 303.45 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine is sourced from PubChem (CID 143869511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).