2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one

C10H10N10O4 — CID 137184580

IUPAC2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one
SMILESNc1nc(=O)c2[nH]cnc2n1O.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/2C5H5N5O2/c6-5-9-4(11)2-3(10(5)12)8-1-7-2;6-4-8-2-1(3(11)10-4)7-5(12)9-2/h1,12H,(H,7,8)(H2,6,9,11);(H5,6,7,8,9,10,11,12)
InChIKeyCIYTZRNONLOKCK-UHFFFAOYSA-N
MW334.26 g/mol
LogP-2.54
Rot. Bonds

About 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one

2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one (PubChem CID 137184580) has the molecular formula C10H10N10O4 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one
PubChem CID137184580
Molecular FormulaC10H10N10O4
Molecular Weight334.26 g/mol
Exact Mass334.09
IUPAC Name2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one
SMILESNc1nc(=O)c2[nH]cnc2n1O.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/2C5H5N5O2/c6-5-9-4(11)2-3(10(5)12)8-1-7-2;6-4-8-2-1(3(11)10-4)7-5(12)9-2/h1,12H,(H,7,8)(H2,6,9,11);(H5,6,7,8,9,10,11,12)
InChIKeyCIYTZRNONLOKCK-UHFFFAOYSA-N
XLogP-2.54
TPSA230.24 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 5-2.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-amino-7,9-dihydro-1H-purine-6,8-dione;1H-purine-6,8-dione
CID 135854125
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;copper;dihydrate
CID 139263394
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;3,7-dihydropurine-2,6-dione;1H-pyrimidine-2,4-dione;hydrochloride
CID 163525060
3,7-dihydropurine-2,6-dione;dihydrochloride
CID 141330661
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
acetamide;3,7-dihydropurine-2,6-dione
CID 174974977
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
2-amino-1,7-dihydropurin-6-one;5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
CID 159240828

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one?
The IUPAC name of 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one (CID 137184580) is 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one.
What is the SMILES notation for 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one?
The canonical SMILES for 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one is Nc1nc(=O)c2[nH]cnc2n1O.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one?
The InChIKey is CIYTZRNONLOKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N5O2/c6-5-9-4(11)2-3(10(5)12)8-1-7-2;6-4-8-2-1(3(11)10-4)7-5(12)9-2/h1,12H,(H,7,8)(H2,6,9,11);(H5,6,7,8,9,10,11,12).
What are the key properties of 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one?
2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one has a molecular weight of 334.26 g/mol, XLogP of -2.54, 0 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one is sourced from PubChem (CID 137184580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).