2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde

C7H9N5O2 — CID 87627145

IUPAC2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde
SMILESNC1N=C2NC=CN(C=O)C2C(=O)N1
InChIInChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)12(3-13)2-1-9-5/h1-4,7H,8H2,(H,9,10)(H,11,14)
InChIKeyYRFLGRUFHHQLRP-UHFFFAOYSA-N
MW195.18 g/mol
LogP-2.34
Rot. Bonds1

About 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde

2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde (PubChem CID 87627145) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde
PubChem CID87627145
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde
SMILESNC1N=C2NC=CN(C=O)C2C(=O)N1
InChIInChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)12(3-13)2-1-9-5/h1-4,7H,8H2,(H,9,10)(H,11,14)
InChIKeyYRFLGRUFHHQLRP-UHFFFAOYSA-N
XLogP-2.34
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde?
The IUPAC name of 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde (CID 87627145) is 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde is NC1N=C2NC=CN(C=O)C2C(=O)N1.
What is the InChIKey of 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde?
The InChIKey is YRFLGRUFHHQLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)12(3-13)2-1-9-5/h1-4,7H,8H2,(H,9,10)(H,11,14).
What are the key properties of 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde?
2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde has a molecular weight of 195.18 g/mol, XLogP of -2.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde is sourced from PubChem (CID 87627145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).