4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine

C29H40N8O3Si — CID 66591312

IUPAC4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3c(-c4cnc(N)c(OC)c4)nc(C(C)(C)C)n3COCC[Si](C)(C)C)n2)ccn1
InChIInChI=1S/C29H40N8O3Si/c1-29(2,3)27-36-24(19-15-22(38-4)26(30)33-17-19)25(37(27)18-40-13-14-41(6,7)8)21-10-12-32-28(35-21)34-20-9-11-31-23(16-20)39-5/h9-12,15-17H,13-14,18H2,1-8H3,(H2,30,33)(H,31,32,34,35)
InChIKeyIMWZTPUKRQCIGO-UHFFFAOYSA-N
MW576.78 g/mol
LogP5.75
Rot. Bonds11

About 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine

4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine (PubChem CID 66591312) has the molecular formula C29H40N8O3Si and a molecular weight of 576.78 g/mol. Its IUPAC name is 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
PubChem CID66591312
Molecular FormulaC29H40N8O3Si
Molecular Weight576.78 g/mol
Exact Mass576.30
IUPAC Name4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3c(-c4cnc(N)c(OC)c4)nc(C(C)(C)C)n3COCC[Si](C)(C)C)n2)ccn1
InChIInChI=1S/C29H40N8O3Si/c1-29(2,3)27-36-24(19-15-22(38-4)26(30)33-17-19)25(37(27)18-40-13-14-41(6,7)8)21-10-12-32-28(35-21)34-20-9-11-31-23(16-20)39-5/h9-12,15-17H,13-14,18H2,1-8H3,(H2,30,33)(H,31,32,34,35)
InChIKeyIMWZTPUKRQCIGO-UHFFFAOYSA-N
XLogP5.75
TPSA135.12 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-methyl-3H-pyrrol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 158517565
4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine
CID 143753859
3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine
CID 59137557
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 59137504
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
4-(2-methoxy-4-pyridinyl)-N-pyridin-4-ylpyrimidin-2-amine
CID 170970558
4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyrimidin-2-amine
CID 154633131
(2R)-N-[(2S)-2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]-2-methoxypropanamide
CID 59137408
N-[3-(trifluoromethyl)phenyl]-4-[9-(2-trimethylsilylethoxymethyl)carbazol-1-yl]pyrimidin-2-amine
CID 162537517
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine (CID 66591312) is 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3c(-c4cnc(N)c(OC)c4)nc(C(C)(C)C)n3COCC[Si](C)(C)C)n2)ccn1.
What is the InChIKey of 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is IMWZTPUKRQCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N8O3Si/c1-29(2,3)27-36-24(19-15-22(38-4)26(30)33-17-19)25(37(27)18-40-13-14-41(6,7)8)21-10-12-32-28(35-21)34-20-9-11-31-23(16-20)39-5/h9-12,15-17H,13-14,18H2,1-8H3,(H2,30,33)(H,31,32,34,35).
What are the key properties of 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 576.78 g/mol, XLogP of 5.75, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-N-(2-methoxy-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 66591312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).