2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione

C7H7N5O4 — CID 137234569

IUPAC2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione
SMILESNc1nc2c(nc(CO)c(=O)n2O)c(=O)[nH]1
InChIInChI=1S/C7H7N5O4/c8-7-10-4-3(5(14)11-7)9-2(1-13)6(15)12(4)16/h13,16H,1H2,(H3,8,10,11,14)
InChIKeyGXIBESKPCVFWGO-UHFFFAOYSA-N
MW225.16 g/mol
LogP-2.21
Rot. Bonds1

About 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione

2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione (PubChem CID 137234569) has the molecular formula C7H7N5O4 and a molecular weight of 225.16 g/mol. Its IUPAC name is 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione
PubChem CID137234569
Molecular FormulaC7H7N5O4
Molecular Weight225.16 g/mol
Exact Mass225.05
IUPAC Name2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione
SMILESNc1nc2c(nc(CO)c(=O)n2O)c(=O)[nH]1
InChIInChI=1S/C7H7N5O4/c8-7-10-4-3(5(14)11-7)9-2(1-13)6(15)12(4)16/h13,16H,1H2,(H3,8,10,11,14)
InChIKeyGXIBESKPCVFWGO-UHFFFAOYSA-N
XLogP-2.21
TPSA147.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
CID 135436104
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-(111C)methoxy-1H-purin-6-one
CID 177418333
2-amino-8-bromo-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415602
2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione
CID 175169311
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
3-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)propanoic acid
CID 137158185
2-amino-9-[(2R,3R)-3,4-dihydroxy-2-methylbutyl]-1H-purin-6-one
CID 136756749
2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
CID 137003628
2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 166559481
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione (CID 137234569) is 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione is Nc1nc2c(nc(CO)c(=O)n2O)c(=O)[nH]1.
What is the InChIKey of 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione?
The InChIKey is GXIBESKPCVFWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O4/c8-7-10-4-3(5(14)11-7)9-2(1-13)6(15)12(4)16/h13,16H,1H2,(H3,8,10,11,14).
What are the key properties of 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione?
2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione has a molecular weight of 225.16 g/mol, XLogP of -2.21, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione is sourced from PubChem (CID 137234569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).