1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C16H17N7O — CID 177381584

IUPAC1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)c1cnc2ncccn12
InChIInChI=1S/C16H17N7O/c24-14(13-11-20-16-19-5-2-6-23(13)16)12-21-7-9-22(10-8-21)15-17-3-1-4-18-15/h1-6,11H,7-10,12H2
InChIKeyUOVOFWNRSSBRIT-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.52
Rot. Bonds4

About 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 177381584) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID177381584
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)c1cnc2ncccn12
InChIInChI=1S/C16H17N7O/c24-14(13-11-20-16-19-5-2-6-23(13)16)12-21-7-9-22(10-8-21)15-17-3-1-4-18-15/h1-6,11H,7-10,12H2
InChIKeyUOVOFWNRSSBRIT-UHFFFAOYSA-N
XLogP0.52
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 177381584) is 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)c1cnc2ncccn12.
What is the InChIKey of 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UOVOFWNRSSBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-14(13-11-20-16-19-5-2-6-23(13)16)12-21-7-9-22(10-8-21)15-17-3-1-4-18-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 323.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 177381584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).