4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine

C20H26FN5OSSi — CID 154633131

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N)n2)n1COCC[Si](C)(C)C
InChIInChI=1S/C20H26FN5OSSi/c1-28-20-25-17(14-5-7-15(21)8-6-14)18(16-9-10-23-19(22)24-16)26(20)13-27-11-12-29(2,3)4/h5-10H,11-13H2,1-4H3,(H2,22,23,24)
InChIKeyFUMFWHPZZDCWNC-UHFFFAOYSA-N
MW431.61 g/mol
LogP4.76
Rot. Bonds8

About 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine

4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 154633131) has the molecular formula C20H26FN5OSSi and a molecular weight of 431.61 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID154633131
Molecular FormulaC20H26FN5OSSi
Molecular Weight431.61 g/mol
Exact Mass431.16
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N)n2)n1COCC[Si](C)(C)C
InChIInChI=1S/C20H26FN5OSSi/c1-28-20-25-17(14-5-7-15(21)8-6-14)18(16-9-10-23-19(22)24-16)26(20)13-27-11-12-29(2,3)4/h5-10H,11-13H2,1-4H3,(H2,22,23,24)
InChIKeyFUMFWHPZZDCWNC-UHFFFAOYSA-N
XLogP4.76
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[5-(2-aminophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]acetamide
CID 163228511
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58395989
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]-3,5-difluorobenzamide
CID 163228526
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 155526334
5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
CID 67983118
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59137278
1-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]propan-2-ol
CID 44568225
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]-3-phenylpropanamide
CID 163228548
4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 24810307
1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 166068433

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine (CID 154633131) is 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N)n2)n1COCC[Si](C)(C)C.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is FUMFWHPZZDCWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5OSSi/c1-28-20-25-17(14-5-7-15(21)8-6-14)18(16-9-10-23-19(22)24-16)26(20)13-27-11-12-29(2,3)4/h5-10H,11-13H2,1-4H3,(H2,22,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 431.61 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 154633131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).