2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine

C26H22N4Si — CID 18792351

IUPAC2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
SMILESC[Si]1(C)C(c2ncccn2)=C(c2ccccc2)C(c2ccccc2)=C1c1ncccn1
InChIInChI=1S/C26H22N4Si/c1-31(2)23(25-27-15-9-16-28-25)21(19-11-5-3-6-12-19)22(20-13-7-4-8-14-20)24(31)26-29-17-10-18-30-26/h3-18H,1-2H3
InChIKeyKVYGZJWAADHDOB-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.59
Rot. Bonds4

About 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine

2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine (PubChem CID 18792351) has the molecular formula C26H22N4Si and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
PubChem CID18792351
Molecular FormulaC26H22N4Si
Molecular Weight418.58 g/mol
Exact Mass418.16
IUPAC Name2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
SMILESC[Si]1(C)C(c2ncccn2)=C(c2ccccc2)C(c2ccccc2)=C1c1ncccn1
InChIInChI=1S/C26H22N4Si/c1-31(2)23(25-27-15-9-16-28-25)21(19-11-5-3-6-12-19)22(20-13-7-4-8-14-20)24(31)26-29-17-10-18-30-26/h3-18H,1-2H3
InChIKeyKVYGZJWAADHDOB-UHFFFAOYSA-N
XLogP5.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.59
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 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine?
The IUPAC name of 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine (CID 18792351) is 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine.
What is the SMILES notation for 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine?
The canonical SMILES for 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine is C[Si]1(C)C(c2ncccn2)=C(c2ccccc2)C(c2ccccc2)=C1c1ncccn1.
What is the InChIKey of 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine?
The InChIKey is KVYGZJWAADHDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4Si/c1-31(2)23(25-27-15-9-16-28-25)21(19-11-5-3-6-12-19)22(20-13-7-4-8-14-20)24(31)26-29-17-10-18-30-26/h3-18H,1-2H3.
What are the key properties of 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine?
2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine has a molecular weight of 418.58 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine is sourced from PubChem (CID 18792351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).