N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide

C18H25N5O3 — CID 122293596

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1
InChIInChI=1S/C18H25N5O3/c1-13-21-16(11-17(22-13)23(2)3)19-8-9-20-18(24)12-26-15-7-5-6-14(10-15)25-4/h5-7,10-11H,8-9,12H2,1-4H3,(H,20,24)(H,19,21,22)
InChIKeyDRDWGSBEGHIMMI-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.47
Rot. Bonds9

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 122293596) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID122293596
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1
InChIInChI=1S/C18H25N5O3/c1-13-21-16(11-17(22-13)23(2)3)19-8-9-20-18(24)12-26-15-7-5-6-14(10-15)25-4/h5-7,10-11H,8-9,12H2,1-4H3,(H,20,24)(H,19,21,22)
InChIKeyDRDWGSBEGHIMMI-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'}

Analyze N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122293663
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 121074724
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-ethylbutanamide
CID 121074604
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 50947862
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide (CID 122293596) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is DRDWGSBEGHIMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-21-16(11-17(22-13)23(2)3)19-8-9-20-18(24)12-26-15-7-5-6-14(10-15)25-4/h5-7,10-11H,8-9,12H2,1-4H3,(H,20,24)(H,19,21,22).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-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-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 122293596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).