2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline

C19H16N4O — CID 122506591

IUPAC2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
SMILESNc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C19H16N4O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13,20H2
InChIKeyHUQICGVEQBYNCI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline

2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline (PubChem CID 122506591) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
PubChem CID122506591
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
SMILESNc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C19H16N4O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13,20H2
InChIKeyHUQICGVEQBYNCI-UHFFFAOYSA-N
XLogP3.56
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
The IUPAC name of 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline (CID 122506591) is 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline.
What is the SMILES notation for 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
The canonical SMILES for 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline is Nc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1.
What is the InChIKey of 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
The InChIKey is HUQICGVEQBYNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13,20H2.
What are the key properties of 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline has a molecular weight of 316.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline is sourced from PubChem (CID 122506591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).