2-(7H-purin-8-yl)propan-2-ol

C8H10N4O — CID 54386771

IUPAC2-(7H-purin-8-yl)propan-2-ol
SMILESCC(C)(O)c1nc2ncncc2[nH]1
InChIInChI=1S/C8H10N4O/c1-8(2,13)7-11-5-3-9-4-10-6(5)12-7/h3-4,13H,1-2H3,(H,9,10,11,12)
InChIKeyVDUKVVPBQQCKPT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.58
Rot. Bonds1

About 2-(7H-purin-8-yl)propan-2-ol

2-(7H-purin-8-yl)propan-2-ol (PubChem CID 54386771) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(7H-purin-8-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7H-purin-8-yl)propan-2-ol
PubChem CID54386771
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-(7H-purin-8-yl)propan-2-ol
SMILESCC(C)(O)c1nc2ncncc2[nH]1
InChIInChI=1S/C8H10N4O/c1-8(2,13)7-11-5-3-9-4-10-6(5)12-7/h3-4,13H,1-2H3,(H,9,10,11,12)
InChIKeyVDUKVVPBQQCKPT-UHFFFAOYSA-N
XLogP0.58
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-8-yl)propan-2-ol?
The IUPAC name of 2-(7H-purin-8-yl)propan-2-ol (CID 54386771) is 2-(7H-purin-8-yl)propan-2-ol.
What is the SMILES notation for 2-(7H-purin-8-yl)propan-2-ol?
The canonical SMILES for 2-(7H-purin-8-yl)propan-2-ol is CC(C)(O)c1nc2ncncc2[nH]1.
What is the InChIKey of 2-(7H-purin-8-yl)propan-2-ol?
The InChIKey is VDUKVVPBQQCKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-8(2,13)7-11-5-3-9-4-10-6(5)12-7/h3-4,13H,1-2H3,(H,9,10,11,12).
What are the key properties of 2-(7H-purin-8-yl)propan-2-ol?
2-(7H-purin-8-yl)propan-2-ol has a molecular weight of 178.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-8-yl)propan-2-ol is sourced from PubChem (CID 54386771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).