2-propan-2-yl-7H-purine

C8H10N4 — CID 18473604

IUPAC2-propan-2-yl-7H-purine
SMILESCC(C)c1ncc2[nH]cnc2n1
InChIInChI=1S/C8H10N4/c1-5(2)7-9-3-6-8(12-7)11-4-10-6/h3-5H,1-2H3,(H,9,10,11,12)
InChIKeyFXEOHOHZFXTENK-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.48
Rot. Bonds1

About 2-propan-2-yl-7H-purine

2-propan-2-yl-7H-purine (PubChem CID 18473604) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-propan-2-yl-7H-purine.

Molecular Properties

Compound Name2-propan-2-yl-7H-purine
PubChem CID18473604
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-propan-2-yl-7H-purine
SMILESCC(C)c1ncc2[nH]cnc2n1
InChIInChI=1S/C8H10N4/c1-5(2)7-9-3-6-8(12-7)11-4-10-6/h3-5H,1-2H3,(H,9,10,11,12)
InChIKeyFXEOHOHZFXTENK-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
Isopentenyladenine
CID 92180
6-Dimethylaminopurine
CID 3134
N6-Methyladenine
CID 67955
2-Methyladenine
CID 15048
8-(Methylthio)purine
CID 95217
N6-Ethenoadenine
CID 104994
6-(4-methylpiperazin-1-yl)-7H-purine
CID 756701
Adenine,N6-3-methoxypropyl
CID 2155044
N,N-dibutyl-7H-purin-6-amine
CID 2155055
Trimethylpurin-6-ylammonium chloride
CID 5462820

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7H-purine?
The IUPAC name of 2-propan-2-yl-7H-purine (CID 18473604) is 2-propan-2-yl-7H-purine.
What is the SMILES notation for 2-propan-2-yl-7H-purine?
The canonical SMILES for 2-propan-2-yl-7H-purine is CC(C)c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-propan-2-yl-7H-purine?
The InChIKey is FXEOHOHZFXTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5(2)7-9-3-6-8(12-7)11-4-10-6/h3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 2-propan-2-yl-7H-purine?
2-propan-2-yl-7H-purine has a molecular weight of 162.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7H-purine is sourced from PubChem (CID 18473604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).