(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane

C17H24N2Si — CID 176617809

IUPAC(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane
SMILESCC(C)(C)c1nc(-c2ccccc2)ncc1[Si](C)(C)C
InChIInChI=1S/C17H24N2Si/c1-17(2,3)15-14(20(4,5)6)12-18-16(19-15)13-10-8-7-9-11-13/h7-12H,1-6H3
InChIKeyBOYCWIGRQCUVKF-UHFFFAOYSA-N
MW284.48 g/mol
LogP3.99
Rot. Bonds2

About (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane

(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane (PubChem CID 176617809) has the molecular formula C17H24N2Si and a molecular weight of 284.48 g/mol. Its IUPAC name is (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane.

Molecular Properties

Compound Name(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane
PubChem CID176617809
Molecular FormulaC17H24N2Si
Molecular Weight284.48 g/mol
Exact Mass284.17
IUPAC Name(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane
SMILESCC(C)(C)c1nc(-c2ccccc2)ncc1[Si](C)(C)C
InChIInChI=1S/C17H24N2Si/c1-17(2,3)15-14(20(4,5)6)12-18-16(19-15)13-10-8-7-9-11-13/h7-12H,1-6H3
InChIKeyBOYCWIGRQCUVKF-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140710315
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
2-tert-butyl-3-phenylquinoxaline
CID 621753
2-phenylquinazoline
CID 158733567
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
4-tert-butyl-5-phenyl-1,3-oxazole
CID 23542020
(4,6-diphenyl-3-pyridinyl)-trimethylsilane
CID 140710428
2-tert-butyl-3,5-diphenylpyridine
CID 167260640
4,5-dichloro-2-phenylpyrimidine
CID 59762779
5-methyl-2-phenyl-4-propan-2-ylpyrimidine
CID 177268699

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane?
The IUPAC name of (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane (CID 176617809) is (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane.
What is the SMILES notation for (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane?
The canonical SMILES for (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane is CC(C)(C)c1nc(-c2ccccc2)ncc1[Si](C)(C)C.
What is the InChIKey of (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane?
The InChIKey is BOYCWIGRQCUVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si/c1-17(2,3)15-14(20(4,5)6)12-18-16(19-15)13-10-8-7-9-11-13/h7-12H,1-6H3.
What are the key properties of (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane?
(4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane has a molecular weight of 284.48 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-phenylpyrimidin-5-yl)-trimethylsilane is sourced from PubChem (CID 176617809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).