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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Related Compounds

2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481
2-[4-(3-Phenyl-cyclohex-3-enylmethyl)-piperazin-1-yl]-pyrimidine
CID 10246306
2-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)pyrimidine
CID 11440849
4-[3-(2-Phenylethyl)-1-piperidinyl]-2-pyrimidinamine
CID 56902535
2-{4-[3,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-piperazin-1-yl}-pyrimidine
CID 44359980
N,N-dimethyl-2-(3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl)ethanamine
CID 46884641
2-N,4-N-bis(3-phenylpropyl)pyrimidine-2,4-diamine
CID 54578490
2-[4-[3-(5-Benzhydryltetrazol-1-yl)propyl]piperazin-1-yl]pyrimidine
CID 132578506
2-[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 764664
N,5-dimethyl-2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-4-amine
CID 60167871
2-[4-[4-(5-Benzhydryltetrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
CID 155556044
(E)-2-styrylpyrimidine
CID 5985486

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).