N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide

C12H15N5O2 — CID 52992821

IUPACN-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide
SMILESO=C(COc1ncccn1)NCCCn1ccnc1
InChIInChI=1S/C12H15N5O2/c18-11(9-19-12-15-3-1-4-16-12)14-5-2-7-17-8-6-13-10-17/h1,3-4,6,8,10H,2,5,7,9H2,(H,14,18)
InChIKeyRNOFRZOZKMIGOL-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.26
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide

N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide (PubChem CID 52992821) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide
PubChem CID52992821
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide
SMILESO=C(COc1ncccn1)NCCCn1ccnc1
InChIInChI=1S/C12H15N5O2/c18-11(9-19-12-15-3-1-4-16-12)14-5-2-7-17-8-6-13-10-17/h1,3-4,6,8,10H,2,5,7,9H2,(H,14,18)
InChIKeyRNOFRZOZKMIGOL-UHFFFAOYSA-N
XLogP0.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide (CID 52992821) is N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide is O=C(COc1ncccn1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide?
The InChIKey is RNOFRZOZKMIGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-11(9-19-12-15-3-1-4-16-12)14-5-2-7-17-8-6-13-10-17/h1,3-4,6,8,10H,2,5,7,9H2,(H,14,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide has a molecular weight of 261.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-pyrimidin-2-yloxyacetamide is sourced from PubChem (CID 52992821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).