2-amino-1,7-dihydropurin-6-one;copper;dihydrate

C5H9CuN5O3 — CID 139263394

IUPAC2-amino-1,7-dihydropurin-6-one;copper;dihydrate
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.O.O.[Cu]
InChIInChI=1S/C5H5N5O.Cu.2H2O/c6-5-9-3-2(4(11)10-5)7-1-8-3;;;/h1H,(H4,6,7,8,9,10,11);;2*1H2
InChIKeyZTWGYSZNZMLFJW-UHFFFAOYSA-N
MW250.71 g/mol
LogP-2.42
Rot. Bonds

About 2-amino-1,7-dihydropurin-6-one;copper;dihydrate

2-amino-1,7-dihydropurin-6-one;copper;dihydrate (PubChem CID 139263394) has the molecular formula C5H9CuN5O3 and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;copper;dihydrate.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;copper;dihydrate
PubChem CID139263394
Molecular FormulaC5H9CuN5O3
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name2-amino-1,7-dihydropurin-6-one;copper;dihydrate
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.O.O.[Cu]
InChIInChI=1S/C5H5N5O.Cu.2H2O/c6-5-9-3-2(4(11)10-5)7-1-8-3;;;/h1H,(H4,6,7,8,9,10,11);;2*1H2
InChIKeyZTWGYSZNZMLFJW-UHFFFAOYSA-N
XLogP-2.42
TPSA163.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
CID 136626730
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090
2-amino-1,7-dihydropurin-6-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 159387270
2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
CID 160674517
2-amino-1,7-dihydropurin-6-one;5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
CID 159240828
2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol
CID 142099539
2-chloro-1,7-dihydropurin-6-one
CID 160598455

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;copper;dihydrate?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;copper;dihydrate (CID 139263394) is 2-amino-1,7-dihydropurin-6-one;copper;dihydrate.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;copper;dihydrate?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;copper;dihydrate is Nc1nc2nc[nH]c2c(=O)[nH]1.O.O.[Cu].
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;copper;dihydrate?
The InChIKey is ZTWGYSZNZMLFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O.Cu.2H2O/c6-5-9-3-2(4(11)10-5)7-1-8-3;;;/h1H,(H4,6,7,8,9,10,11);;2*1H2.
What are the key properties of 2-amino-1,7-dihydropurin-6-one;copper;dihydrate?
2-amino-1,7-dihydropurin-6-one;copper;dihydrate has a molecular weight of 250.71 g/mol, XLogP of -2.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;copper;dihydrate is sourced from PubChem (CID 139263394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).