2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C17H20N4O2 — CID 53318981

IUPAC2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-16(14-23-13-15-5-2-1-3-6-15)20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8H,9-14H2
InChIKeyRQIYABSDRNNALU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.34
Rot. Bonds5

About 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53318981) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID53318981
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N4O2/c22-16(14-23-13-15-5-2-1-3-6-15)20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8H,9-14H2
InChIKeyRQIYABSDRNNALU-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 56589672
CID 56589672
4-Methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 9881090
Benzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 9923385
Benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate
CID 10268255
4-Fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 10269028
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimidin-2-yl-acetamide
CID 14330383
((+/-)-1-Phenethyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 16109389
2-[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798887
Piperazine, 1-(1-oxo-2-phenoxypropyl)-4-(2-pyrimidinyl)-
CID 4805359
2-(5-Methyl-2-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2471943
8-(2-Methoxyethyl)-2-phenylmethoxypteridin-7-one
CID 3232796
3-(6-Methyl-7-oxo-2-phenylmethoxypteridin-8-yl)propanenitrile
CID 3233039

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 53318981) is 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(COCc1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RQIYABSDRNNALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(14-23-13-15-5-2-1-3-6-15)20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8H,9-14H2.
What are the key properties of 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 312.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53318981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).