1-(pyrimidin-2-ylmethyl)diaziridin-3-one

C6H6N4O — CID 134537776

IUPAC1-(pyrimidin-2-ylmethyl)diaziridin-3-one
SMILESO=C1NN1Cc1ncccn1
InChIInChI=1S/C6H6N4O/c11-6-9-10(6)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,11)
InChIKeySBLFUTVTEYIWEU-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.08
Rot. Bonds2

About 1-(pyrimidin-2-ylmethyl)diaziridin-3-one

1-(pyrimidin-2-ylmethyl)diaziridin-3-one (PubChem CID 134537776) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)diaziridin-3-one.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)diaziridin-3-one
PubChem CID134537776
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name1-(pyrimidin-2-ylmethyl)diaziridin-3-one
SMILESO=C1NN1Cc1ncccn1
InChIInChI=1S/C6H6N4O/c11-6-9-10(6)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,11)
InChIKeySBLFUTVTEYIWEU-UHFFFAOYSA-N
XLogP-0.08
TPSA67.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(pyrimidin-2-ylmethyl)diaziridin-3-one 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 1-(pyrimidin-2-ylmethyl)diaziridin-3-one?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)diaziridin-3-one (CID 134537776) is 1-(pyrimidin-2-ylmethyl)diaziridin-3-one.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)diaziridin-3-one?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)diaziridin-3-one is O=C1NN1Cc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)diaziridin-3-one?
The InChIKey is SBLFUTVTEYIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-9-10(6)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,11).
What are the key properties of 1-(pyrimidin-2-ylmethyl)diaziridin-3-one?
1-(pyrimidin-2-ylmethyl)diaziridin-3-one has a molecular weight of 150.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)diaziridin-3-one is sourced from PubChem (CID 134537776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).