N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide

C13H17N5O2 — CID 52992822

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
SMILESCc1ccnc(OCC(=O)NCCCn2ccnc2)n1
InChIInChI=1S/C13H17N5O2/c1-11-3-5-16-13(17-11)20-9-12(19)15-4-2-7-18-8-6-14-10-18/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,15,19)
InChIKeyJTIRVBLIFYJXOF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.57
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide

N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide (PubChem CID 52992822) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
PubChem CID52992822
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
SMILESCc1ccnc(OCC(=O)NCCCn2ccnc2)n1
InChIInChI=1S/C13H17N5O2/c1-11-3-5-16-13(17-11)20-9-12(19)15-4-2-7-18-8-6-14-10-18/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,15,19)
InChIKeyJTIRVBLIFYJXOF-UHFFFAOYSA-N
XLogP0.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.57
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-(4-methylpyrimidin-2-yl)oxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide (CID 52992822) is N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide is Cc1ccnc(OCC(=O)NCCCn2ccnc2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
The InChIKey is JTIRVBLIFYJXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-11-3-5-16-13(17-11)20-9-12(19)15-4-2-7-18-8-6-14-10-18/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,15,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.57, 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-(4-methylpyrimidin-2-yl)oxyacetamide is sourced from PubChem (CID 52992822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).