2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

C20H26N4O2 — CID 90492143

IUPAC2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESCc1cccc(CC(=O)NCCOc2cc(N3CCCC3)nc(C)n2)c1
InChIInChI=1S/C20H26N4O2/c1-15-6-5-7-17(12-15)13-19(25)21-8-11-26-20-14-18(22-16(2)23-20)24-9-3-4-10-24/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,21,25)
InChIKeyGUEQXHWTLMEXFA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds7

About 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (PubChem CID 90492143) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
PubChem CID90492143
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESCc1cccc(CC(=O)NCCOc2cc(N3CCCC3)nc(C)n2)c1
InChIInChI=1S/C20H26N4O2/c1-15-6-5-7-17(12-15)13-19(25)21-8-11-26-20-14-18(22-16(2)23-20)24-9-3-4-10-24/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,21,25)
InChIKeyGUEQXHWTLMEXFA-UHFFFAOYSA-N
XLogP2.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491961
2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-2-pyridin-3-yloxyacetamide
CID 90492056
2-(2-chlorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491668
2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491865
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 90492162
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360
7-methoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-benzofuran-2-carboxamide
CID 90492054
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492281

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (CID 90492143) is 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is Cc1cccc(CC(=O)NCCOc2cc(N3CCCC3)nc(C)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The InChIKey is GUEQXHWTLMEXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-6-5-7-17(12-15)13-19(25)21-8-11-26-20-14-18(22-16(2)23-20)24-9-3-4-10-24/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,21,25).
What are the key properties of 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is sourced from PubChem (CID 90492143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).