2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide

C17H20N4O3 — CID 90544202

IUPAC2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C17H20N4O3/c1-13-3-2-4-14(9-13)24-11-17(22)20-15-10-16(19-12-18-15)21-5-7-23-8-6-21/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19,20,22)
InChIKeyTXDQOFQTWSXIQE-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.64
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide

2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide (PubChem CID 90544202) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
PubChem CID90544202
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C17H20N4O3/c1-13-3-2-4-14(9-13)24-11-17(22)20-15-10-16(19-12-18-15)21-5-7-23-8-6-21/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19,20,22)
InChIKeyTXDQOFQTWSXIQE-UHFFFAOYSA-N
XLogP1.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(2,4-dichlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544150
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
CID 71792695
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
CID 71794861
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide
CID 2946286
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-chlorophenoxy)acetamide
CID 90545647
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide (CID 90544202) is 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide is Cc1cccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The InChIKey is TXDQOFQTWSXIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-13-3-2-4-14(9-13)24-11-17(22)20-15-10-16(19-12-18-15)21-5-7-23-8-6-21/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19,20,22).
What are the key properties of 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).