2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione

C19H13N5O3 — CID 136626730

IUPAC2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C5H5N5O/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;6-5-9-3-2(4(11)10-5)7-1-8-3/h1-8H;1H,(H4,6,7,8,9,10,11)
InChIKeyXYKOEBHYKZBKOZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.69
Rot. Bonds

About 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione

2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione (PubChem CID 136626730) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
PubChem CID136626730
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC Name2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C5H5N5O/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;6-5-9-3-2(4(11)10-5)7-1-8-3/h1-8H;1H,(H4,6,7,8,9,10,11)
InChIKeyXYKOEBHYKZBKOZ-UHFFFAOYSA-N
XLogP1.69
TPSA134.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
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;(4-amino-2-oxopyrimidin-1-yl)phosphonic acid
CID 175552966
2-amino-1,7-dihydropurin-6-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 159387270
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090
2-phenyl-1,7-dihydropurin-6-one
CID 135531822
2-amino-1,7-dihydropurin-6-one;3,7-dihydropurine-2,6-dione;1H-pyrimidine-2,4-dione;hydrochloride
CID 163525060
2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
CID 160674517

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione (CID 136626730) is 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione is Nc1nc2nc[nH]c2c(=O)[nH]1.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione?
The InChIKey is XYKOEBHYKZBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C5H5N5O/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;6-5-9-3-2(4(11)10-5)7-1-8-3/h1-8H;1H,(H4,6,7,8,9,10,11).
What are the key properties of 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione?
2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione has a molecular weight of 359.35 g/mol, XLogP of 1.69, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione is sourced from PubChem (CID 136626730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).