1-hydroxy-6,7-dihydropurine

C5H6N4O — CID 54112474

IUPAC1-hydroxy-6,7-dihydropurine
SMILESON1C=Nc2nc[nH]c2C1
InChIInChI=1S/C5H6N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h2-3,10H,1H2,(H,6,7)
InChIKeyNIBFORYTCFBUCQ-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.27
Rot. Bonds

About 1-hydroxy-6,7-dihydropurine

1-hydroxy-6,7-dihydropurine (PubChem CID 54112474) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 1-hydroxy-6,7-dihydropurine.

Molecular Properties

Compound Name1-hydroxy-6,7-dihydropurine
PubChem CID54112474
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name1-hydroxy-6,7-dihydropurine
SMILESON1C=Nc2nc[nH]c2C1
InChIInChI=1S/C5H6N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h2-3,10H,1H2,(H,6,7)
InChIKeyNIBFORYTCFBUCQ-UHFFFAOYSA-N
XLogP0.27
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,7-dihydropurine?
The IUPAC name of 1-hydroxy-6,7-dihydropurine (CID 54112474) is 1-hydroxy-6,7-dihydropurine.
What is the SMILES notation for 1-hydroxy-6,7-dihydropurine?
The canonical SMILES for 1-hydroxy-6,7-dihydropurine is ON1C=Nc2nc[nH]c2C1.
What is the InChIKey of 1-hydroxy-6,7-dihydropurine?
The InChIKey is NIBFORYTCFBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-9-1-4-5(8-3-9)7-2-6-4/h2-3,10H,1H2,(H,6,7).
What are the key properties of 1-hydroxy-6,7-dihydropurine?
1-hydroxy-6,7-dihydropurine has a molecular weight of 138.13 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,7-dihydropurine is sourced from PubChem (CID 54112474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).