ethane;6-ethyl-7H-purine;molecular hydrogen

C9H16N4 — CID 143569207

IUPACethane;6-ethyl-7H-purine;molecular hydrogen
SMILESCC.CCc1ncnc2nc[nH]c12.[H][H]
InChIInChI=1S/C7H8N4.C2H6.H2/c1-2-5-6-7(10-3-8-5)11-4-9-6;1-2;/h3-4H,2H2,1H3,(H,8,9,10,11);1-2H3;1H
InChIKeyDHADYGVSRVXRAZ-UHFFFAOYSA-N
MW180.26 g/mol
LogP2.19
Rot. Bonds1

About ethane;6-ethyl-7H-purine;molecular hydrogen

ethane;6-ethyl-7H-purine;molecular hydrogen (PubChem CID 143569207) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is ethane;6-ethyl-7H-purine;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-ethyl-7H-purine;molecular hydrogen
PubChem CID143569207
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Nameethane;6-ethyl-7H-purine;molecular hydrogen
SMILESCC.CCc1ncnc2nc[nH]c12.[H][H]
InChIInChI=1S/C7H8N4.C2H6.H2/c1-2-5-6-7(10-3-8-5)11-4-9-6;1-2;/h3-4H,2H2,1H3,(H,8,9,10,11);1-2H3;1H
InChIKeyDHADYGVSRVXRAZ-UHFFFAOYSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tetradecyl-7H-purine
CID 101215358
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
2-(7H-purin-6-yl)ethanol
CID 53402024
N-methyl-2-(7H-purin-6-yl)acetonitrilium
CID 68737634
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
6-ethyl-2-methyl-7H-purine
CID 176927465
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
7H-purin-6-ylmethanesulfinate
CID 174680183
7H-purin-6-ylmethanesulfinic acid
CID 174680184
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
6-(1-ethoxyethenyl)-7H-purine
CID 18670312
N-butyl-7H-purin-6-amine;ethane
CID 154667457

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-7H-purine;molecular hydrogen?
The IUPAC name of ethane;6-ethyl-7H-purine;molecular hydrogen (CID 143569207) is ethane;6-ethyl-7H-purine;molecular hydrogen.
What is the SMILES notation for ethane;6-ethyl-7H-purine;molecular hydrogen?
The canonical SMILES for ethane;6-ethyl-7H-purine;molecular hydrogen is CC.CCc1ncnc2nc[nH]c12.[H][H].
What is the InChIKey of ethane;6-ethyl-7H-purine;molecular hydrogen?
The InChIKey is DHADYGVSRVXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C2H6.H2/c1-2-5-6-7(10-3-8-5)11-4-9-6;1-2;/h3-4H,2H2,1H3,(H,8,9,10,11);1-2H3;1H.
What are the key properties of ethane;6-ethyl-7H-purine;molecular hydrogen?
ethane;6-ethyl-7H-purine;molecular hydrogen has a molecular weight of 180.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-7H-purine;molecular hydrogen is sourced from PubChem (CID 143569207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).