2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide

C19H22N6O3 — CID 122289854

IUPAC2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1
InChIInChI=1S/C19H22N6O3/c1-14-23-17(12-18(24-14)25-11-5-8-22-25)20-9-10-21-19(26)13-28-16-7-4-3-6-15(16)27-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,26)(H,20,23,24)
InChIKeyWSOYNZKAPCXWNB-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.59
Rot. Bonds9

About 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide

2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 122289854) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID122289854
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1
InChIInChI=1S/C19H22N6O3/c1-14-23-17(12-18(24-14)25-11-5-8-22-25)20-9-10-21-19(26)13-28-16-7-4-3-6-15(16)27-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,26)(H,20,23,24)
InChIKeyWSOYNZKAPCXWNB-UHFFFAOYSA-N
XLogP1.59
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
CID 121072306
2-(2-fluorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122291093
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxypropanamide
CID 121072324
2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699359
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122290113
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122289833
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2,4-dimethoxy-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 121072562
1-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122290062
(E)-3-(2-methylphenyl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]prop-2-enamide
CID 122289974
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122289934
2,5-dichloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-3-carboxamide
CID 122289978

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 122289854) is 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide is COc1ccccc1OCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is WSOYNZKAPCXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-14-23-17(12-18(24-14)25-11-5-8-22-25)20-9-10-21-19(26)13-28-16-7-4-3-6-15(16)27-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,26)(H,20,23,24).
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122289854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).