N-cyclopropyl-N'-pyrimidin-2-yloxamide

C9H10N4O2 — CID 44996583

IUPACN-cyclopropyl-N'-pyrimidin-2-yloxamide
SMILESO=C(Nc1ncccn1)C(=O)NC1CC1
InChIInChI=1S/C9H10N4O2/c14-7(12-6-2-3-6)8(15)13-9-10-4-1-5-11-9/h1,4-6H,2-3H2,(H,12,14)(H,10,11,13,15)
InChIKeyAOKZQMRIOXCOJI-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.31
Rot. Bonds2

About N-cyclopropyl-N'-pyrimidin-2-yloxamide

N-cyclopropyl-N'-pyrimidin-2-yloxamide (PubChem CID 44996583) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N-cyclopropyl-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-pyrimidin-2-yloxamide
PubChem CID44996583
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN-cyclopropyl-N'-pyrimidin-2-yloxamide
SMILESO=C(Nc1ncccn1)C(=O)NC1CC1
InChIInChI=1S/C9H10N4O2/c14-7(12-6-2-3-6)8(15)13-9-10-4-1-5-11-9/h1,4-6H,2-3H2,(H,12,14)(H,10,11,13,15)
InChIKeyAOKZQMRIOXCOJI-UHFFFAOYSA-N
XLogP-0.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-cyclopropyl-N'-pyrimidin-2-yloxamide (CID 44996583) is N-cyclopropyl-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-cyclopropyl-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-cyclopropyl-N'-pyrimidin-2-yloxamide is O=C(Nc1ncccn1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-pyrimidin-2-yloxamide?
The InChIKey is AOKZQMRIOXCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-7(12-6-2-3-6)8(15)13-9-10-4-1-5-11-9/h1,4-6H,2-3H2,(H,12,14)(H,10,11,13,15).
What are the key properties of N-cyclopropyl-N'-pyrimidin-2-yloxamide?
N-cyclopropyl-N'-pyrimidin-2-yloxamide has a molecular weight of 206.21 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 44996583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).