1-methyl-6,7-dihydropurin-6-ol

C6H8N4O — CID 67582006

IUPAC1-methyl-6,7-dihydropurin-6-ol
SMILESCN1C=Nc2nc[nH]c2C1O
InChIInChI=1S/C6H8N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3,6,11H,1H3,(H,7,8)
InChIKeyWBZOYUSGKJIBTF-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.01
Rot. Bonds

About 1-methyl-6,7-dihydropurin-6-ol

1-methyl-6,7-dihydropurin-6-ol (PubChem CID 67582006) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-methyl-6,7-dihydropurin-6-ol.

Molecular Properties

Compound Name1-methyl-6,7-dihydropurin-6-ol
PubChem CID67582006
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name1-methyl-6,7-dihydropurin-6-ol
SMILESCN1C=Nc2nc[nH]c2C1O
InChIInChI=1S/C6H8N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3,6,11H,1H3,(H,7,8)
InChIKeyWBZOYUSGKJIBTF-UHFFFAOYSA-N
XLogP0.01
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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hydron;(5-methyl-1H-imidazol-4-yl)methanol;chloride
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydropurin-6-ol?
The IUPAC name of 1-methyl-6,7-dihydropurin-6-ol (CID 67582006) is 1-methyl-6,7-dihydropurin-6-ol.
What is the SMILES notation for 1-methyl-6,7-dihydropurin-6-ol?
The canonical SMILES for 1-methyl-6,7-dihydropurin-6-ol is CN1C=Nc2nc[nH]c2C1O.
What is the InChIKey of 1-methyl-6,7-dihydropurin-6-ol?
The InChIKey is WBZOYUSGKJIBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3,6,11H,1H3,(H,7,8).
What are the key properties of 1-methyl-6,7-dihydropurin-6-ol?
1-methyl-6,7-dihydropurin-6-ol has a molecular weight of 152.16 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydropurin-6-ol is sourced from PubChem (CID 67582006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).