5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine

C26H24FN3 — CID 135246467

IUPAC5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine
SMILESCc1ccccc1CCc1ncc(Cc2ncccc2-c2ccc(F)cc2C)cn1
InChIInChI=1S/C26H24FN3/c1-18-6-3-4-7-21(18)9-12-26-29-16-20(17-30-26)15-25-24(8-5-13-28-25)23-11-10-22(27)14-19(23)2/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3
InChIKeyRIQTYKBMPWHVMQ-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.67
Rot. Bonds6

About 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine

5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine (PubChem CID 135246467) has the molecular formula C26H24FN3 and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine.

Molecular Properties

Compound Name5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine
PubChem CID135246467
Molecular FormulaC26H24FN3
Molecular Weight397.50 g/mol
Exact Mass397.20
IUPAC Name5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine
SMILESCc1ccccc1CCc1ncc(Cc2ncccc2-c2ccc(F)cc2C)cn1
InChIInChI=1S/C26H24FN3/c1-18-6-3-4-7-21(18)9-12-26-29-16-20(17-30-26)15-25-24(8-5-13-28-25)23-11-10-22(27)14-19(23)2/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3
InChIKeyRIQTYKBMPWHVMQ-UHFFFAOYSA-N
XLogP5.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442053
5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-N-methyl-N-prop-2-enylpyrimidin-2-amine
CID 135246452
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
2-[2-(4-fluoro-2-methylphenyl)pyrimidin-5-yl]ethanamine
CID 81277520
ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
CID 165410147
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine
CID 138705967
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(4-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447073
2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]pyridine
CID 135246659
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine?
The IUPAC name of 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine (CID 135246467) is 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine.
What is the SMILES notation for 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine?
The canonical SMILES for 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine is Cc1ccccc1CCc1ncc(Cc2ncccc2-c2ccc(F)cc2C)cn1.
What is the InChIKey of 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine?
The InChIKey is RIQTYKBMPWHVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3/c1-18-6-3-4-7-21(18)9-12-26-29-16-20(17-30-26)15-25-24(8-5-13-28-25)23-11-10-22(27)14-19(23)2/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3.
What are the key properties of 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine?
5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine has a molecular weight of 397.50 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluoro-2-methylphenyl)-2-pyridinyl]methyl]-2-[2-(2-methylphenyl)ethyl]pyrimidine is sourced from PubChem (CID 135246467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).