butane;6-methyl-7H-purine;molecular hydrogen

C10H18N4 — CID 176672548

IUPACbutane;6-methyl-7H-purine;molecular hydrogen
SMILESCCCC.Cc1ncnc2nc[nH]c12.[H][H]
InChIInChI=1S/C6H6N4.C4H10.H2/c1-4-5-6(9-2-7-4)10-3-8-5;1-3-4-2;/h2-3H,1H3,(H,7,8,9,10);3-4H2,1-2H3;1H
InChIKeyJSGMVAHKOXKMTN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.71
Rot. Bonds1

About butane;6-methyl-7H-purine;molecular hydrogen

butane;6-methyl-7H-purine;molecular hydrogen (PubChem CID 176672548) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is butane;6-methyl-7H-purine;molecular hydrogen.

Molecular Properties

Compound Namebutane;6-methyl-7H-purine;molecular hydrogen
PubChem CID176672548
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Namebutane;6-methyl-7H-purine;molecular hydrogen
SMILESCCCC.Cc1ncnc2nc[nH]c12.[H][H]
InChIInChI=1S/C6H6N4.C4H10.H2/c1-4-5-6(9-2-7-4)10-3-8-5;1-3-4-2;/h2-3H,1H3,(H,7,8,9,10);3-4H2,1-2H3;1H
InChIKeyJSGMVAHKOXKMTN-UHFFFAOYSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
N-butyl-7H-purin-6-amine;ethane
CID 154667457
6-tetradecyl-7H-purine
CID 101215358
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methyl-7H-purine
CID 66596990
6-(1-ethoxyethenyl)-7H-purine
CID 18670312
6-dodecylsulfanyl-7H-purine
CID 3778984
6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine
CID 53349102
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
octadecanoic acid;7H-purin-6-amine
CID 141436047
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443

Frequently Asked Questions

What is the IUPAC name of butane;6-methyl-7H-purine;molecular hydrogen?
The IUPAC name of butane;6-methyl-7H-purine;molecular hydrogen (CID 176672548) is butane;6-methyl-7H-purine;molecular hydrogen.
What is the SMILES notation for butane;6-methyl-7H-purine;molecular hydrogen?
The canonical SMILES for butane;6-methyl-7H-purine;molecular hydrogen is CCCC.Cc1ncnc2nc[nH]c12.[H][H].
What is the InChIKey of butane;6-methyl-7H-purine;molecular hydrogen?
The InChIKey is JSGMVAHKOXKMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.C4H10.H2/c1-4-5-6(9-2-7-4)10-3-8-5;1-3-4-2;/h2-3H,1H3,(H,7,8,9,10);3-4H2,1-2H3;1H.
What are the key properties of butane;6-methyl-7H-purine;molecular hydrogen?
butane;6-methyl-7H-purine;molecular hydrogen has a molecular weight of 194.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-methyl-7H-purine;molecular hydrogen is sourced from PubChem (CID 176672548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).