1-(7H-purin-6-yl)propan-2-ol

C8H10N4O — CID 174759958

IUPAC1-(7H-purin-6-yl)propan-2-ol
SMILESCC(O)Cc1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N4O/c1-5(13)2-6-7-8(11-3-9-6)12-4-10-7/h3-5,13H,2H2,1H3,(H,9,10,11,12)
InChIKeyXNGZRGIEUIMSPT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.28
Rot. Bonds2

About 1-(7H-purin-6-yl)propan-2-ol

1-(7H-purin-6-yl)propan-2-ol (PubChem CID 174759958) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(7H-purin-6-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7H-purin-6-yl)propan-2-ol
PubChem CID174759958
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-(7H-purin-6-yl)propan-2-ol
SMILESCC(O)Cc1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N4O/c1-5(13)2-6-7-8(11-3-9-6)12-4-10-7/h3-5,13H,2H2,1H3,(H,9,10,11,12)
InChIKeyXNGZRGIEUIMSPT-UHFFFAOYSA-N
XLogP0.28
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7H-purin-6-yl)ethanol
CID 53402024
1-(7H-purin-6-yl)ethanol
CID 18670461
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
N-methyl-2-(7H-purin-6-yl)acetonitrilium
CID 68737634
6-tetradecyl-7H-purine
CID 101215358
7H-purin-6-ylmethanesulfinic acid
CID 174680184
(2,2,2-trifluoroacetyl) (2S)-2-amino-3-(7H-purin-6-yl)propanoate
CID 87913178
2-amino-4-(7H-purin-6-yl)butanoic acid
CID 69404868
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
7H-purin-6-ylmethanesulfinate
CID 174680183
methanol;7H-purin-6-amine
CID 67194832

Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yl)propan-2-ol?
The IUPAC name of 1-(7H-purin-6-yl)propan-2-ol (CID 174759958) is 1-(7H-purin-6-yl)propan-2-ol.
What is the SMILES notation for 1-(7H-purin-6-yl)propan-2-ol?
The canonical SMILES for 1-(7H-purin-6-yl)propan-2-ol is CC(O)Cc1ncnc2nc[nH]c12.
What is the InChIKey of 1-(7H-purin-6-yl)propan-2-ol?
The InChIKey is XNGZRGIEUIMSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(13)2-6-7-8(11-3-9-6)12-4-10-7/h3-5,13H,2H2,1H3,(H,9,10,11,12).
What are the key properties of 1-(7H-purin-6-yl)propan-2-ol?
1-(7H-purin-6-yl)propan-2-ol has a molecular weight of 178.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yl)propan-2-ol is sourced from PubChem (CID 174759958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).