molecular hydrogen;6-propan-2-yl-7H-purine

C8H12N4 — CID 171499387

IUPACmolecular hydrogen;6-propan-2-yl-7H-purine
SMILESCC(C)c1ncnc2nc[nH]c12.[H][H]
InChIInChI=1S/C8H10N4.H2/c1-5(2)6-7-8(11-3-9-6)12-4-10-7;/h3-5H,1-2H3,(H,9,10,11,12);1H
InChIKeyDNHHCDWTNJOMJA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.72
Rot. Bonds1

About molecular hydrogen;6-propan-2-yl-7H-purine

molecular hydrogen;6-propan-2-yl-7H-purine (PubChem CID 171499387) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is molecular hydrogen;6-propan-2-yl-7H-purine.

Molecular Properties

Compound Namemolecular hydrogen;6-propan-2-yl-7H-purine
PubChem CID171499387
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Namemolecular hydrogen;6-propan-2-yl-7H-purine
SMILESCC(C)c1ncnc2nc[nH]c12.[H][H]
InChIInChI=1S/C8H10N4.H2/c1-5(2)6-7-8(11-3-9-6)12-4-10-7;/h3-5H,1-2H3,(H,9,10,11,12);1H
InChIKeyDNHHCDWTNJOMJA-UHFFFAOYSA-N
XLogP1.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7H-purin-6-yl)ethanol
CID 18670461
6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine
CID 156867510
6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium
CID 176927745
1-(7H-purin-6-yl)propane-1,2,3-triol
CID 170818005
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
CID 144881517
6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine
CID 53349102
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;6-propan-2-yl-7H-purine?
The IUPAC name of molecular hydrogen;6-propan-2-yl-7H-purine (CID 171499387) is molecular hydrogen;6-propan-2-yl-7H-purine.
What is the SMILES notation for molecular hydrogen;6-propan-2-yl-7H-purine?
The canonical SMILES for molecular hydrogen;6-propan-2-yl-7H-purine is CC(C)c1ncnc2nc[nH]c12.[H][H].
What is the InChIKey of molecular hydrogen;6-propan-2-yl-7H-purine?
The InChIKey is DNHHCDWTNJOMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.H2/c1-5(2)6-7-8(11-3-9-6)12-4-10-7;/h3-5H,1-2H3,(H,9,10,11,12);1H.
What are the key properties of molecular hydrogen;6-propan-2-yl-7H-purine?
molecular hydrogen;6-propan-2-yl-7H-purine has a molecular weight of 164.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;6-propan-2-yl-7H-purine is sourced from PubChem (CID 171499387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).