2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione

C6H5N5O3 — CID 135403796

IUPAC2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione
SMILESNc1nc2[nH]c(=O)c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)
InChIKeySFLOGVVDXPCWGR-UHFFFAOYSA-N
MW195.14 g/mol
LogP-2.12
Rot. Bonds

About 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione

2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione (PubChem CID 135403796) has the molecular formula C6H5N5O3 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione.

Molecular Properties

Compound Name2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione
PubChem CID135403796
Molecular FormulaC6H5N5O3
Molecular Weight195.14 g/mol
Exact Mass195.04
IUPAC Name2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione
SMILESNc1nc2[nH]c(=O)c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)
InChIKeySFLOGVVDXPCWGR-UHFFFAOYSA-N
XLogP-2.12
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione?
The IUPAC name of 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione (CID 135403796) is 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione.
What is the SMILES notation for 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione?
The canonical SMILES for 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione is Nc1nc2[nH]c(=O)c(=O)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione?
The InChIKey is SFLOGVVDXPCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14).
What are the key properties of 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione?
2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione has a molecular weight of 195.14 g/mol, XLogP of -2.12, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione is sourced from PubChem (CID 135403796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).