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

C17H24N2Si — CID 135073476

IUPAC(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
SMILESCc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H24N2Si/c1-13(2)20(14(3)4,17-18-11-6-12-19-17)16-9-7-15(5)8-10-16/h6-14H,1-5H3
InChIKeyLFGJJRQCQHYJDY-UHFFFAOYSA-N
MW284.48 g/mol
LogP3.17
Rot. Bonds4

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

(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane (PubChem CID 135073476) has the molecular formula C17H24N2Si and a molecular weight of 284.48 g/mol. Its IUPAC name is (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane.

Molecular Properties

Compound Name(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
PubChem CID135073476
Molecular FormulaC17H24N2Si
Molecular Weight284.48 g/mol
Exact Mass284.17
IUPAC Name(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
SMILESCc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H24N2Si/c1-13(2)20(14(3)4,17-18-11-6-12-19-17)16-9-7-15(5)8-10-16/h6-14H,1-5H3
InChIKeyLFGJJRQCQHYJDY-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
The IUPAC name of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane (CID 135073476) is (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane.
What is the SMILES notation for (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
The canonical SMILES for (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane is Cc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1.
What is the InChIKey of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
The InChIKey is LFGJJRQCQHYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si/c1-13(2)20(14(3)4,17-18-11-6-12-19-17)16-9-7-15(5)8-10-16/h6-14H,1-5H3.
What are the key properties of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?
(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane has a molecular weight of 284.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane is sourced from PubChem (CID 135073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).