1-hydroxy-7H-purin-2-imine

C5H5N5O — CID 159593590

IUPAC1-hydroxy-7H-purin-2-imine
SMILES[H]/N=c1\nc2nc[nH]c2cn1O
InChIInChI=1S/C5H5N5O/c6-5-9-4-3(1-10(5)11)7-2-8-4/h1-2,11H,(H2,6,7,8,9)
InChIKeyMKNVRNHZLIFPOO-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.52
Rot. Bonds

About 1-hydroxy-7H-purin-2-imine

1-hydroxy-7H-purin-2-imine (PubChem CID 159593590) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-hydroxy-7H-purin-2-imine.

Molecular Properties

Compound Name1-hydroxy-7H-purin-2-imine
PubChem CID159593590
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name1-hydroxy-7H-purin-2-imine
SMILES[H]/N=c1\nc2nc[nH]c2cn1O
InChIInChI=1S/C5H5N5O/c6-5-9-4-3(1-10(5)11)7-2-8-4/h1-2,11H,(H2,6,7,8,9)
InChIKeyMKNVRNHZLIFPOO-UHFFFAOYSA-N
XLogP-0.52
TPSA90.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methylhydroxydihydro-purine
CID 129700067
6-Hydroxy dihydroimidazopyrimidine
CID 129784026
2,6-Diamino-1H-purin-1-ol
CID 135502464
1-methyl-4-oxido-4H-[1,2,5]thiadiazolo[3,4-d]pyrimidin-4-ium 2-oxide
CID 87979036
4-oxido-4H-triazolo[4,5-d]pyrimidin-4-ium
CID 88073841
1H-Purine-1,2-diamine
CID 135813677
1-methyl-7H-purin-2-imine
CID 135829330
1-Hydroxy-2-iminopyrimidine-4,5-diamine
CID 139529678
1-hydroxy-7H-purine-2-thione
CID 141428068
1-Methyl-2,7-dihydropurine
CID 174619335
[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel
CID 137185557
[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenezinc
CID 137207443

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7H-purin-2-imine?
The IUPAC name of 1-hydroxy-7H-purin-2-imine (CID 159593590) is 1-hydroxy-7H-purin-2-imine.
What is the SMILES notation for 1-hydroxy-7H-purin-2-imine?
The canonical SMILES for 1-hydroxy-7H-purin-2-imine is [H]/N=c1\nc2nc[nH]c2cn1O.
What is the InChIKey of 1-hydroxy-7H-purin-2-imine?
The InChIKey is MKNVRNHZLIFPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-5-9-4-3(1-10(5)11)7-2-8-4/h1-2,11H,(H2,6,7,8,9).
What are the key properties of 1-hydroxy-7H-purin-2-imine?
1-hydroxy-7H-purin-2-imine has a molecular weight of 151.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7H-purin-2-imine is sourced from PubChem (CID 159593590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).