1-hydroxy-N-methyl-7H-purin-6-imine

C6H7N5O — CID 135546995

IUPAC1-hydroxy-N-methyl-7H-purin-6-imine
SMILESC/N=c1/c2[nH]cnc2ncn1O
InChIInChI=1S/C6H7N5O/c1-7-6-4-5(9-2-8-4)10-3-11(6)12/h2-3,12H,1H3,(H,8,9)/b7-6-
InChIKeyZMHWUFIAUFZURP-SREVYHEPSA-N
MW165.16 g/mol
LogP-0.47
Rot. Bonds

About 1-hydroxy-N-methyl-7H-purin-6-imine

1-hydroxy-N-methyl-7H-purin-6-imine (PubChem CID 135546995) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 1-hydroxy-N-methyl-7H-purin-6-imine.

Molecular Properties

Compound Name1-hydroxy-N-methyl-7H-purin-6-imine
PubChem CID135546995
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name1-hydroxy-N-methyl-7H-purin-6-imine
SMILESC/N=c1/c2[nH]cnc2ncn1O
InChIInChI=1S/C6H7N5O/c1-7-6-4-5(9-2-8-4)10-3-11(6)12/h2-3,12H,1H3,(H,8,9)/b7-6-
InChIKeyZMHWUFIAUFZURP-SREVYHEPSA-N
XLogP-0.47
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-oxido-7H-purin-6-one
CID 71438070
1,7-dihydropurin-6-one
CID 135546991
1-(trideuterio(113C)methyl)-7H-purin-6-imine
CID 169443101
N-(7H-purin-6-yl)hydroxylamine
CID 21876
methanol;7H-purin-6-amine
CID 67194832
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
azane;1,7-dihydropurin-6-one
CID 158320966
1-butyl-7H-purine-6-thione
CID 3481028
1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one
CID 166485173
1-(7H-purin-6-yl)ethanol
CID 18670461
methyl 7-oxo-1H-pyrido[2,1-f]purine-9-carboxylate
CID 131858369
(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
CID 137012777

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methyl-7H-purin-6-imine?
The IUPAC name of 1-hydroxy-N-methyl-7H-purin-6-imine (CID 135546995) is 1-hydroxy-N-methyl-7H-purin-6-imine.
What is the SMILES notation for 1-hydroxy-N-methyl-7H-purin-6-imine?
The canonical SMILES for 1-hydroxy-N-methyl-7H-purin-6-imine is C/N=c1/c2[nH]cnc2ncn1O.
What is the InChIKey of 1-hydroxy-N-methyl-7H-purin-6-imine?
The InChIKey is ZMHWUFIAUFZURP-SREVYHEPSA-N. The full InChI is InChI=1S/C6H7N5O/c1-7-6-4-5(9-2-8-4)10-3-11(6)12/h2-3,12H,1H3,(H,8,9)/b7-6-.
What are the key properties of 1-hydroxy-N-methyl-7H-purin-6-imine?
1-hydroxy-N-methyl-7H-purin-6-imine has a molecular weight of 165.16 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methyl-7H-purin-6-imine is sourced from PubChem (CID 135546995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).