2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid

C9H9N5O4 — CID 135436104

IUPAC2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C9H9N5O4/c1-2-14-5-3(6(15)13-9(10)12-5)11-4(7(14)16)8(17)18/h2H2,1H3,(H,17,18)(H3,10,12,13,15)
InChIKeyHHRIRRFAMDQGTJ-UHFFFAOYSA-N
MW251.20 g/mol
LogP-1.22
Rot. Bonds2

About 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid

2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid (PubChem CID 135436104) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
PubChem CID135436104
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C9H9N5O4/c1-2-14-5-3(6(15)13-9(10)12-5)11-4(7(14)16)8(17)18/h2H2,1H3,(H,17,18)(H3,10,12,13,15)
InChIKeyHHRIRRFAMDQGTJ-UHFFFAOYSA-N
XLogP-1.22
TPSA143.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid 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

3-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)propanoic acid
CID 137158185
2-amino-9-hexyl-8-methyl-1H-purin-6-one
CID 135415609
2-[2-amino-8-(2-methylpropanoyl)-6-oxo-1H-purin-9-yl]acetic acid
CID 135988429
2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
CID 135408140
2-amino-8-bromo-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415602
2-amino-8-hydroxy-6-(hydroxymethyl)-3H-pteridine-4,7-dione
CID 137234569
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-[[2-amino-9-(2-hydroxyethyl)-6-oxo-1H-purin-8-yl]sulfanyl]-N-propylacetamide
CID 166788995
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-8-(111C)methoxy-1H-purin-6-one
CID 177418333
2,8-diamino-9-[(1-ethoxy-3-hydroxypropan-2-yl)oxymethyl]-1H-purin-6-one
CID 135776383
2-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid
CID 135480738
2-amino-9-(1-hydroxypropyl)-1H-purin-6-one
CID 137154787

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
The IUPAC name of 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid (CID 135436104) is 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid is CCn1c(=O)c(C(=O)O)nc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
The InChIKey is HHRIRRFAMDQGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c1-2-14-5-3(6(15)13-9(10)12-5)11-4(7(14)16)8(17)18/h2H2,1H3,(H,17,18)(H3,10,12,13,15).
What are the key properties of 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid has a molecular weight of 251.20 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid is sourced from PubChem (CID 135436104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).