2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide

C14H15N5O2 — CID 80969640

IUPAC2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide
SMILESNNc1cc(Oc2ccccc2C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C14H15N5O2/c15-13(20)9-3-1-2-4-10(9)21-12-7-11(19-16)17-14(18-12)8-5-6-8/h1-4,7-8H,5-6,16H2,(H2,15,20)(H,17,18,19)
InChIKeyYKEPARXAPIYNJF-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.53
Rot. Bonds5

About 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide

2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide (PubChem CID 80969640) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide
PubChem CID80969640
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide
SMILESNNc1cc(Oc2ccccc2C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C14H15N5O2/c15-13(20)9-3-1-2-4-10(9)21-12-7-11(19-16)17-14(18-12)8-5-6-8/h1-4,7-8H,5-6,16H2,(H2,15,20)(H,17,18,19)
InChIKeyYKEPARXAPIYNJF-UHFFFAOYSA-N
XLogP1.53
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide (CID 80969640) is 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide is NNc1cc(Oc2ccccc2C(N)=O)nc(C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide?
The InChIKey is YKEPARXAPIYNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-13(20)9-3-1-2-4-10(9)21-12-7-11(19-16)17-14(18-12)8-5-6-8/h1-4,7-8H,5-6,16H2,(H2,15,20)(H,17,18,19).
What are the key properties of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide?
2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide has a molecular weight of 285.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 80969640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).