8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione

C8H5N7O3 — CID 135414250

IUPAC8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione
SMILESNc1nc2nc3[nH]c(=O)[nH]c(=O)c3nc2c(=O)[nH]1
InChIInChI=1S/C8H5N7O3/c9-7-12-3-1(5(16)14-7)10-2-4(11-3)13-8(18)15-6(2)17/h(H5,9,11,12,13,14,15,16,17,18)
InChIKeyBFBJBFGVPKEJFI-UHFFFAOYSA-N
MW247.17 g/mol
LogP-2.17
Rot. Bonds

About 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione

8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione (PubChem CID 135414250) has the molecular formula C8H5N7O3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione.

Molecular Properties

Compound Name8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione
PubChem CID135414250
Molecular FormulaC8H5N7O3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione
SMILESNc1nc2nc3[nH]c(=O)[nH]c(=O)c3nc2c(=O)[nH]1
InChIInChI=1S/C8H5N7O3/c9-7-12-3-1(5(16)14-7)10-2-4(11-3)13-8(18)15-6(2)17/h(H5,9,11,12,13,14,15,16,17,18)
InChIKeyBFBJBFGVPKEJFI-UHFFFAOYSA-N
XLogP-2.17
TPSA163.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
CID 135408140
1H-benzo[g]pteridine-2,4-dione
CID 5372720
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
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;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-8-deuterio-1,9-dihydropurin-6-one
CID 136912024
2-amino-6-[(1-hydroxyethylamino)methyl]-3H-pteridin-4-one
CID 163537979

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione?
The IUPAC name of 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione (CID 135414250) is 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione.
What is the SMILES notation for 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione?
The canonical SMILES for 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione is Nc1nc2nc3[nH]c(=O)[nH]c(=O)c3nc2c(=O)[nH]1.
What is the InChIKey of 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione?
The InChIKey is BFBJBFGVPKEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N7O3/c9-7-12-3-1(5(16)14-7)10-2-4(11-3)13-8(18)15-6(2)17/h(H5,9,11,12,13,14,15,16,17,18).
What are the key properties of 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione?
8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione has a molecular weight of 247.17 g/mol, XLogP of -2.17, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione is sourced from PubChem (CID 135414250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).