2-(2-methyl-6-phenylselanylphenyl)pyrimidine

C17H14N2Se — CID 132512136

IUPAC2-(2-methyl-6-phenylselanylphenyl)pyrimidine
SMILESCc1cccc([Se]c2ccccc2)c1-c1ncccn1
InChIInChI=1S/C17H14N2Se/c1-13-7-5-10-15(20-14-8-3-2-4-9-14)16(13)17-18-11-6-12-19-17/h2-12H,1H3
InChIKeyAQEFLANEPVCOQY-UHFFFAOYSA-N
MW325.27 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-methyl-6-phenylselanylphenyl)pyrimidine

2-(2-methyl-6-phenylselanylphenyl)pyrimidine (PubChem CID 132512136) has the molecular formula C17H14N2Se and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-(2-methyl-6-phenylselanylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methyl-6-phenylselanylphenyl)pyrimidine
PubChem CID132512136
Molecular FormulaC17H14N2Se
Molecular Weight325.27 g/mol
Exact Mass326.03
IUPAC Name2-(2-methyl-6-phenylselanylphenyl)pyrimidine
SMILESCc1cccc([Se]c2ccccc2)c1-c1ncccn1
InChIInChI=1S/C17H14N2Se/c1-13-7-5-10-15(20-14-8-3-2-4-9-14)16(13)17-18-11-6-12-19-17/h2-12H,1H3
InChIKeyAQEFLANEPVCOQY-UHFFFAOYSA-N
XLogP2.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 52.11
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-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
4-(4-Phenylphenyl)pyrimidine
CID 817541
2-(Phenylethynyl)pyrimidine
CID 12490583
2-(m-Tolylethynyl)pyrimidine
CID 44190040
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2,5-Diphenylpyrimidine
CID 755305
2-Benzyl-4-methylpyrimidine
CID 915660

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenylselanylphenyl)pyrimidine?
The IUPAC name of 2-(2-methyl-6-phenylselanylphenyl)pyrimidine (CID 132512136) is 2-(2-methyl-6-phenylselanylphenyl)pyrimidine.
What is the SMILES notation for 2-(2-methyl-6-phenylselanylphenyl)pyrimidine?
The canonical SMILES for 2-(2-methyl-6-phenylselanylphenyl)pyrimidine is Cc1cccc([Se]c2ccccc2)c1-c1ncccn1.
What is the InChIKey of 2-(2-methyl-6-phenylselanylphenyl)pyrimidine?
The InChIKey is AQEFLANEPVCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2Se/c1-13-7-5-10-15(20-14-8-3-2-4-9-14)16(13)17-18-11-6-12-19-17/h2-12H,1H3.
What are the key properties of 2-(2-methyl-6-phenylselanylphenyl)pyrimidine?
2-(2-methyl-6-phenylselanylphenyl)pyrimidine has a molecular weight of 325.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-phenylselanylphenyl)pyrimidine is sourced from PubChem (CID 132512136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).