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

C6H5N5O3 — CID 135755304

IUPAC2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione
SMILESNC1=NC(=O)C2NC(=O)C(=O)NC2=N1
InChIInChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h1H,(H,8,13)(H3,7,9,10,11,12,14)
InChIKeyFLJBMWVIRUUAFV-UHFFFAOYSA-N
MW195.14 g/mol
LogP-3.15
Rot. Bonds

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

2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione (PubChem CID 135755304) has the molecular formula C6H5N5O3 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione.

Molecular Properties

Compound Name2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione
PubChem CID135755304
Molecular FormulaC6H5N5O3
Molecular Weight195.14 g/mol
Exact Mass195.04
IUPAC Name2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione
SMILESNC1=NC(=O)C2NC(=O)C(=O)NC2=N1
InChIInChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h1H,(H,8,13)(H3,7,9,10,11,12,14)
InChIKeyFLJBMWVIRUUAFV-UHFFFAOYSA-N
XLogP-3.15
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 5-3.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
2-Amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 73346152
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 89239855
4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 129632103
2-amino-2,3,4a,5,6,7-hexahydro-1H-pteridin-4-one
CID 152342273
2-Amino-4a,5-dihydropteridine-4,6-dione
CID 23422048
4a,8-Dihydropteridine-4,7-dione
CID 23422151
3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone
CID 23422170
6-Methyl-4a,8-dihydropteridine-4,7-dione
CID 23422181
N-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide
CID 24903599

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione?
The IUPAC name of 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione (CID 135755304) is 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione.
What is the SMILES notation for 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione?
The canonical SMILES for 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione is NC1=NC(=O)C2NC(=O)C(=O)NC2=N1.
What is the InChIKey of 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione?
The InChIKey is FLJBMWVIRUUAFV-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/h1H,(H,8,13)(H3,7,9,10,11,12,14).
What are the key properties of 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione?
2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione has a molecular weight of 195.14 g/mol, XLogP of -3.15, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,8-dihydro-4aH-pteridine-4,6,7-trione is sourced from PubChem (CID 135755304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).