(4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane

C17H24N2OSi — CID 135074038

IUPAC(4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
SMILESCOc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H24N2OSi/c1-13(2)21(14(3)4,17-18-11-6-12-19-17)16-9-7-15(20-5)8-10-16/h6-14H,1-5H3
InChIKeyGHDKHXJXKYLBHM-UHFFFAOYSA-N
MW300.48 g/mol
LogP2.87
Rot. Bonds5

About (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane

(4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane (PubChem CID 135074038) has the molecular formula C17H24N2OSi and a molecular weight of 300.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane.

Molecular Properties

Compound Name(4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
PubChem CID135074038
Molecular FormulaC17H24N2OSi
Molecular Weight300.48 g/mol
Exact Mass300.17
IUPAC Name(4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
SMILESCOc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H24N2OSi/c1-13(2)21(14(3)4,17-18-11-6-12-19-17)16-9-7-15(20-5)8-10-16/h6-14H,1-5H3
InChIKeyGHDKHXJXKYLBHM-UHFFFAOYSA-N
XLogP2.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
The IUPAC name of (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane (CID 135074038) is (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane.
What is the SMILES notation for (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
The canonical SMILES for (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane is COc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
The InChIKey is GHDKHXJXKYLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OSi/c1-13(2)21(14(3)4,17-18-11-6-12-19-17)16-9-7-15(20-5)8-10-16/h6-14H,1-5H3.
What are the key properties of (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
(4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane has a molecular weight of 300.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane is sourced from PubChem (CID 135074038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).