[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C16H17FN4O3 — CID 46602636

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)NCc1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C16H17FN4O3/c1-21(16-18-7-2-8-19-16)10-15(23)24-11-14(22)20-9-12-3-5-13(17)6-4-12/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyGJFJJZZEYPPIRH-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.91
Rot. Bonds7

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46602636) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46602636
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)NCc1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C16H17FN4O3/c1-21(16-18-7-2-8-19-16)10-15(23)24-11-14(22)20-9-12-3-5-13(17)6-4-12/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyGJFJJZZEYPPIRH-UHFFFAOYSA-N
XLogP0.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602784
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185613
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 2542711
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46602636) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CN(CC(=O)OCC(=O)NCc1ccc(F)cc1)c1ncccn1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is GJFJJZZEYPPIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-21(16-18-7-2-8-19-16)10-15(23)24-11-14(22)20-9-12-3-5-13(17)6-4-12/h2-8H,9-11H2,1H3,(H,20,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 332.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46602636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).