(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane

C16H27N3OSi — CID 174723227

IUPAC(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
SMILESCOc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H27N3OSi/c1-11(2)21(12(3)4,13(5)6)19-9-8-14-15(19)17-10-18-16(14)20-7/h8-13H,1-7H3
InChIKeyKNQDVKIMYLITGL-UHFFFAOYSA-N
MW305.50 g/mol
LogP4.46
Rot. Bonds5

About (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane

(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane (PubChem CID 174723227) has the molecular formula C16H27N3OSi and a molecular weight of 305.50 g/mol. Its IUPAC name is (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
PubChem CID174723227
Molecular FormulaC16H27N3OSi
Molecular Weight305.50 g/mol
Exact Mass305.19
IUPAC Name(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
SMILESCOc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H27N3OSi/c1-11(2)21(12(3)4,13(5)6)19-9-8-14-15(19)17-10-18-16(14)20-7/h8-13H,1-7H3
InChIKeyKNQDVKIMYLITGL-UHFFFAOYSA-N
XLogP4.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?
The IUPAC name of (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane (CID 174723227) is (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane is COc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?
The InChIKey is KNQDVKIMYLITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OSi/c1-11(2)21(12(3)4,13(5)6)19-9-8-14-15(19)17-10-18-16(14)20-7/h8-13H,1-7H3.
What are the key properties of (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?
(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane has a molecular weight of 305.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 174723227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).