(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one

C17H24N6O2 — CID 95293130

IUPAC(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCCOc1cc(C)nc(N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-4-25-15-11-13(2)19-17(20-15)22-9-7-21(8-10-22)16(24)14(3)23-6-5-18-12-23/h5-6,11-12,14H,4,7-10H2,1-3H3/t14-/m0/s1
InChIKeyNCEJRWHGDAZBLI-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.29
Rot. Bonds5

About (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one

(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one (PubChem CID 95293130) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
PubChem CID95293130
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
SMILESCCOc1cc(C)nc(N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-4-25-15-11-13(2)19-17(20-15)22-9-7-21(8-10-22)16(24)14(3)23-6-5-18-12-23/h5-6,11-12,14H,4,7-10H2,1-3H3/t14-/m0/s1
InChIKeyNCEJRWHGDAZBLI-AWEZNQCLSA-N
XLogP1.29
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one (CID 95293130) is (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one is CCOc1cc(C)nc(N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)n1.
What is the InChIKey of (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one?
The InChIKey is NCEJRWHGDAZBLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-25-15-11-13(2)19-17(20-15)22-9-7-21(8-10-22)16(24)14(3)23-6-5-18-12-23/h5-6,11-12,14H,4,7-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one?
(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one has a molecular weight of 344.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 95293130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).