N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide

C18H25N5O3 — CID 122295387

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCNc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C18H25N5O3/c1-13-11-16(23(2)3)22-18(21-13)20-10-9-19-17(24)12-26-15-8-6-5-7-14(15)25-4/h5-8,11H,9-10,12H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyZVFLUBVEOWPUIN-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.47
Rot. Bonds9

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 122295387) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID122295387
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCNc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C18H25N5O3/c1-13-11-16(23(2)3)22-18(21-13)20-10-9-19-17(24)12-26-15-8-6-5-7-14(15)25-4/h5-8,11H,9-10,12H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyZVFLUBVEOWPUIN-UHFFFAOYSA-N
XLogP1.47
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenoxy)acetamide
CID 122295393
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122295487
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295488
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 121075291
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122295415
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 122294623
2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide
CID 122295383
4-(dimethylamino)-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295420
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121075329
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 122295387) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCNc1nc(C)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is ZVFLUBVEOWPUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-11-16(23(2)3)22-18(21-13)20-10-9-19-17(24)12-26-15-8-6-5-7-14(15)25-4/h5-8,11H,9-10,12H2,1-4H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 122295387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).