N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine

C20H27FN4O3 — CID 154229187

IUPACN-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
SMILESCCOCCOc1ccc(Nc2ncnc(OC3CCNCC3)c2C)c(F)c1
InChIInChI=1S/C20H27FN4O3/c1-3-26-10-11-27-16-4-5-18(17(21)12-16)25-19-14(2)20(24-13-23-19)28-15-6-8-22-9-7-15/h4-5,12-13,15,22H,3,6-11H2,1-2H3,(H,23,24,25)
InChIKeyVINUCGMBDUMYON-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.21
Rot. Bonds9

About N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine

N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine (PubChem CID 154229187) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
PubChem CID154229187
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC NameN-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
SMILESCCOCCOc1ccc(Nc2ncnc(OC3CCNCC3)c2C)c(F)c1
InChIInChI=1S/C20H27FN4O3/c1-3-26-10-11-27-16-4-5-18(17(21)12-16)25-19-14(2)20(24-13-23-19)28-15-6-8-22-9-7-15/h4-5,12-13,15,22H,3,6-11H2,1-2H3,(H,23,24,25)
InChIKeyVINUCGMBDUMYON-UHFFFAOYSA-N
XLogP3.21
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine 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

4-[6-(2-fluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779490
4-[6-[2-fluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 66896012
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
CID 141105746
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
4-[4-[2-(dimethylamino)ethylsulfanyl]-2-fluoroanilino]-6-piperidin-4-yloxypyrimidine-5-carbonitrile
CID 69293515
tert-butyl 3-[6-(4-ethyl-2-fluoroanilino)-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414602
4-[6-(2,5-difluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779485
N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine
CID 162178686
N-(aminomethylidene)-N'-[4-[[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-5-methylpyrimidin-4-yl]amino]-3-fluorophenyl]methanimidamide;methylcyclopropane
CID 159532157
1,3-difluoropropan-2-yl 7-[6-(2-fluoro-4-methylanilino)-5-methylpyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58414867
3-fluoro-4-[[5-methyl-6-[[9-(2,2,2-trifluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]oxy]pyrimidin-4-yl]amino]benzenesulfinate;methane
CID 159658434

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
The IUPAC name of N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine (CID 154229187) is N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
The canonical SMILES for N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine is CCOCCOc1ccc(Nc2ncnc(OC3CCNCC3)c2C)c(F)c1.
What is the InChIKey of N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
The InChIKey is VINUCGMBDUMYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-3-26-10-11-27-16-4-5-18(17(21)12-16)25-19-14(2)20(24-13-23-19)28-15-6-8-22-9-7-15/h4-5,12-13,15,22H,3,6-11H2,1-2H3,(H,23,24,25).
What are the key properties of N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine?
N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine has a molecular weight of 390.46 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyethoxy)-2-fluorophenyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine is sourced from PubChem (CID 154229187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).