5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C22H34ClN5O2Si — CID 90971021

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 90971021) has the molecular formula C22H34ClN5O2Si and a molecular weight of 464.09 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 90971021
• Molecular Formula: C22H34ClN5O2Si
• Molecular Weight: 464.09 g/mol
• Exact Mass: 463.22
• IUPAC Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: COc1c(C)ncc(CN2CC(CO[Si](C)(C)C(C)(C)C)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C22H34ClN5O2Si/c1-13-15(9-25-14(2)18(13)29-6)10-28-11-16(12-30-31(7,8)22(3,4)5)17-19(23)26-21(24)27-20(17)28/h9,16H,10-12H2,1-8H3,(H2,24,26,27)
• InChIKey: AEFMVGBRNZKYHQ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 86.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.09
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 90971021) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is COc1c(C)ncc(CN2CC(CO[Si](C)(C)C(C)(C)C)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is AEFMVGBRNZKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN5O2Si/c1-13-15(9-25-14(2)18(13)29-6)10-28-11-16(12-30-31(7,8)22(3,4)5)17-19(23)26-21(24)27-20(17)28/h9,16H,10-12H2,1-8H3,(H2,24,26,27).

What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 464.09 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 90971021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).