2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide

C19H21ClN6O2 — CID 121074526

IUPAC2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)COc2ccc(Cl)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C19H21ClN6O2/c1-13-24-17(11-18(25-13)26-10-9-21-14(26)2)22-7-8-23-19(27)12-28-16-5-3-15(20)4-6-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyPLSNJLAACFWKRC-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.54
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 121074526) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID121074526
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)COc2ccc(Cl)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C19H21ClN6O2/c1-13-24-17(11-18(25-13)26-10-9-21-14(26)2)22-7-8-23-19(27)12-28-16-5-3-15(20)4-6-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyPLSNJLAACFWKRC-UHFFFAOYSA-N
XLogP2.54
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]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

2-(2-fluorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122291093
2-(4-fluorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 121074532
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide
CID 122291040
(3S)-1-(4-chlorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122291104
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]naphthalene-2-carboxamide
CID 121074510
1-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 122291051
2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide
CID 55849154
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,2-diphenylacetamide
CID 121074531
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122291117
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122291212
2-bromo-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121074535
4-methyl-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]thiadiazole-5-carboxamide
CID 121074529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 121074526) is 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide is Cc1nc(NCCNC(=O)COc2ccc(Cl)cc2)cc(-n2ccnc2C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is PLSNJLAACFWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-13-24-17(11-18(25-13)26-10-9-21-14(26)2)22-7-8-23-19(27)12-28-16-5-3-15(20)4-6-16/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 400.87 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 121074526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).