2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone

C16H18N4O2 — CID 121187472

IUPAC2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CC(Nc3ncccn3)C2)cc1
InChIInChI=1S/C16H18N4O2/c1-12-3-5-14(6-4-12)22-11-15(21)20-9-13(10-20)19-16-17-7-2-8-18-16/h2-8,13H,9-11H2,1H3,(H,17,18,19)
InChIKeyYEHSGZHOSFQDJA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.49
Rot. Bonds5

About 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone

2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone (PubChem CID 121187472) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone
PubChem CID121187472
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CC(Nc3ncccn3)C2)cc1
InChIInChI=1S/C16H18N4O2/c1-12-3-5-14(6-4-12)22-11-15(21)20-9-13(10-20)19-16-17-7-2-8-18-16/h2-8,13H,9-11H2,1H3,(H,17,18,19)
InChIKeyYEHSGZHOSFQDJA-UHFFFAOYSA-N
XLogP1.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187581
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
3-phenyl-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]butan-1-one
CID 121187552
N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide
CID 121187533
4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
CID 110365950
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone (CID 121187472) is 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CC(Nc3ncccn3)C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone?
The InChIKey is YEHSGZHOSFQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-3-5-14(6-4-12)22-11-15(21)20-9-13(10-20)19-16-17-7-2-8-18-16/h2-8,13H,9-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone?
2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone has a molecular weight of 298.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone is sourced from PubChem (CID 121187472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).