N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide

C18H22FN3O2 — CID 95922975

IUPACN-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide
SMILESCCCCNC(=O)COc1nc(-c2ccc(F)cc2)nc(C)c1C
InChIInChI=1S/C18H22FN3O2/c1-4-5-10-20-16(23)11-24-18-12(2)13(3)21-17(22-18)14-6-8-15(19)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H,20,23)
InChIKeyTYJOUTLXBHXBCY-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.19
Rot. Bonds7

About N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide

N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide (PubChem CID 95922975) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide
PubChem CID95922975
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide
SMILESCCCCNC(=O)COc1nc(-c2ccc(F)cc2)nc(C)c1C
InChIInChI=1S/C18H22FN3O2/c1-4-5-10-20-16(23)11-24-18-12(2)13(3)21-17(22-18)14-6-8-15(19)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H,20,23)
InChIKeyTYJOUTLXBHXBCY-UHFFFAOYSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95922976
N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
CID 3226763
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922354
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083486
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
CID 53107859
N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136960
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
2-[[2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-pentylacetamide;molecular hydrogen
CID 142549473

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide (CID 95922975) is N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide is CCCCNC(=O)COc1nc(-c2ccc(F)cc2)nc(C)c1C.
What is the InChIKey of N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide?
The InChIKey is TYJOUTLXBHXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-4-5-10-20-16(23)11-24-18-12(2)13(3)21-17(22-18)14-6-8-15(19)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide?
N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide has a molecular weight of 331.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 95922975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).