N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine

C27H35BrN4O2Si — CID 160978703

About N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine

N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 160978703) has the molecular formula C27H35BrN4O2Si and a molecular weight of 555.59 g/mol. Its IUPAC name is N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine
• PubChem CID: 160978703
• Molecular Formula: C27H35BrN4O2Si
• Molecular Weight: 555.59 g/mol
• Exact Mass: 554.17
• IUPAC Name: N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine
• SMILES: COc1cc(Br)ccc1Nc1nccc(-c2cnc3c(c2)C(C)(CO[Si](C)(C)C(C)(C)C)CC3)n1
• InChI: InChI=1S/C27H35BrN4O2Si/c1-26(2,3)35(6,7)34-17-27(4)12-10-22-20(27)14-18(16-30-22)21-11-13-29-25(31-21)32-23-9-8-19(28)15-24(23)33-5/h8-9,11,13-16H,10,12,17H2,1-7H3,(H,29,31,32)
• InChIKey: SZFLRSTUWVCART-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 69.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.59
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine?

The IUPAC name of N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine (CID 160978703) is N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine.

What is the SMILES notation for N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine?

The canonical SMILES for N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine is COc1cc(Br)ccc1Nc1nccc(-c2cnc3c(c2)C(C)(CO[Si](C)(C)C(C)(C)C)CC3)n1.

What is the InChIKey of N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine?

The InChIKey is SZFLRSTUWVCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35BrN4O2Si/c1-26(2,3)35(6,7)34-17-27(4)12-10-22-20(27)14-18(16-30-22)21-11-13-29-25(31-21)32-23-9-8-19(28)15-24(23)33-5/h8-9,11,13-16H,10,12,17H2,1-7H3,(H,29,31,32).

What are the key properties of N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine?

N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 555.59 g/mol, XLogP of 7.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-methoxyphenyl)-4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 160978703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).