N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide

C18H18FN5O2 — CID 51173016

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C18H18FN5O2/c1-11-8-12(2)21-18(20-11)24-16(9-13(3)23-24)22-17(25)10-26-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,22,25)
InChIKeyUYNOYHLFOYHSSQ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 51173016) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID51173016
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C18H18FN5O2/c1-11-8-12(2)21-18(20-11)24-16(9-13(3)23-24)22-17(25)10-26-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,22,25)
InChIKeyUYNOYHLFOYHSSQ-UHFFFAOYSA-N
XLogP2.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
(S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 25110630
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide
CID 44590096
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
CID 658308
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135752958
N-(2-ethoxyphenyl)-5-methyltetraazolo[1,5-a]pyrimidin-7-amine
CID 750479
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 6602942
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 8057131
N-(4-{[4-Methyl-6-(pyrrolidin-1-YL)pyrimidin-2-YL]amino}phenyl)-2-phenoxyacetamide
CID 18566669
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluorophenoxy)acetamide
CID 44448026

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (CID 51173016) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is UYNOYHLFOYHSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-8-12(2)21-18(20-11)24-16(9-13(3)23-24)22-17(25)10-26-15-7-5-4-6-14(15)19/h4-9H,10H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 51173016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).