N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide

C17H16FN5O2 — CID 122303464

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cn1cccn1
InChIInChI=1S/C17H16FN5O2/c1-11-16(22-15(24)10-23-9-5-8-19-23)12(2)21-17(20-11)25-14-7-4-3-6-13(14)18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyRBAGQZOJLZPAGP-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide (PubChem CID 122303464) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
PubChem CID122303464
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cn1cccn1
InChIInChI=1S/C17H16FN5O2/c1-11-16(22-15(24)10-23-9-5-8-19-23)12(2)21-17(20-11)25-14-7-4-3-6-13(14)18/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyRBAGQZOJLZPAGP-UHFFFAOYSA-N
XLogP2.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356086
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
benzyl N-[2-[[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]amino]-2-oxoethyl]carbamate
CID 122303450
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122303499
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356669
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
(E)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122303446

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide (CID 122303464) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide is Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cn1cccn1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is RBAGQZOJLZPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-16(22-15(24)10-23-9-5-8-19-23)12(2)21-17(20-11)25-14-7-4-3-6-13(14)18/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 341.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 122303464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).