2,4-diaminopteridine-6-carbaldehyde

C7H6N6O — CID 3080607

IUPAC2,4-diaminopteridine-6-carbaldehyde
SMILESNc1nc(N)c2nc(C=O)cnc2n1
InChIInChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13)
InChIKeyQBSIXCBKOMWSBZ-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.60
Rot. Bonds1

About 2,4-diaminopteridine-6-carbaldehyde

2,4-diaminopteridine-6-carbaldehyde (PubChem CID 3080607) has the molecular formula C7H6N6O and a molecular weight of 190.17 g/mol. Its IUPAC name is 2,4-diaminopteridine-6-carbaldehyde.

Molecular Properties

Compound Name2,4-diaminopteridine-6-carbaldehyde
PubChem CID3080607
Molecular FormulaC7H6N6O
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name2,4-diaminopteridine-6-carbaldehyde
SMILESNc1nc(N)c2nc(C=O)cnc2n1
InChIInChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13)
InChIKeyQBSIXCBKOMWSBZ-UHFFFAOYSA-N
XLogP-0.60
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-diaminopteridine-6-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 2,4-diaminopteridine-6-carbaldehyde?
The IUPAC name of 2,4-diaminopteridine-6-carbaldehyde (CID 3080607) is 2,4-diaminopteridine-6-carbaldehyde.
What is the SMILES notation for 2,4-diaminopteridine-6-carbaldehyde?
The canonical SMILES for 2,4-diaminopteridine-6-carbaldehyde is Nc1nc(N)c2nc(C=O)cnc2n1.
What is the InChIKey of 2,4-diaminopteridine-6-carbaldehyde?
The InChIKey is QBSIXCBKOMWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13).
What are the key properties of 2,4-diaminopteridine-6-carbaldehyde?
2,4-diaminopteridine-6-carbaldehyde has a molecular weight of 190.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminopteridine-6-carbaldehyde is sourced from PubChem (CID 3080607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).