5-N-hydroperoxypyrimidine-2,5-diamine

C4H6N4O2 — CID 154627375

IUPAC5-N-hydroperoxypyrimidine-2,5-diamine
SMILESNc1ncc(NOO)cn1
InChIInChI=1S/C4H6N4O2/c5-4-6-1-3(2-7-4)8-10-9/h1-2,8-9H,(H2,5,6,7)
InChIKeyGOKCRLGPDPEKTR-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.12
Rot. Bonds2

About 5-N-hydroperoxypyrimidine-2,5-diamine

5-N-hydroperoxypyrimidine-2,5-diamine (PubChem CID 154627375) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 5-N-hydroperoxypyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-hydroperoxypyrimidine-2,5-diamine
PubChem CID154627375
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name5-N-hydroperoxypyrimidine-2,5-diamine
SMILESNc1ncc(NOO)cn1
InChIInChI=1S/C4H6N4O2/c5-4-6-1-3(2-7-4)8-10-9/h1-2,8-9H,(H2,5,6,7)
InChIKeyGOKCRLGPDPEKTR-UHFFFAOYSA-N
XLogP-0.12
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-N-hydroperoxypyrimidine-2,5-diamine 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 5-N-hydroperoxypyrimidine-2,5-diamine?
The IUPAC name of 5-N-hydroperoxypyrimidine-2,5-diamine (CID 154627375) is 5-N-hydroperoxypyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-hydroperoxypyrimidine-2,5-diamine?
The canonical SMILES for 5-N-hydroperoxypyrimidine-2,5-diamine is Nc1ncc(NOO)cn1.
What is the InChIKey of 5-N-hydroperoxypyrimidine-2,5-diamine?
The InChIKey is GOKCRLGPDPEKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-4-6-1-3(2-7-4)8-10-9/h1-2,8-9H,(H2,5,6,7).
What are the key properties of 5-N-hydroperoxypyrimidine-2,5-diamine?
5-N-hydroperoxypyrimidine-2,5-diamine has a molecular weight of 142.12 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-hydroperoxypyrimidine-2,5-diamine is sourced from PubChem (CID 154627375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).