2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine

C22H14Cl2FN3 — CID 5297686

IUPAC2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccncc3)nc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C22H14Cl2FN3/c23-18-2-1-3-19(24)17(18)12-22-27-20(14-4-6-16(25)7-5-14)13-21(28-22)15-8-10-26-11-9-15/h1-11,13H,12H2
InChIKeyGUPWCABWLDBTEW-UHFFFAOYSA-N
MW410.28 g/mol
LogP6.24
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine

2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine (PubChem CID 5297686) has the molecular formula C22H14Cl2FN3 and a molecular weight of 410.28 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine
PubChem CID5297686
Molecular FormulaC22H14Cl2FN3
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccncc3)nc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C22H14Cl2FN3/c23-18-2-1-3-19(24)17(18)12-22-27-20(14-4-6-16(25)7-5-14)13-21(28-22)15-8-10-26-11-9-15/h1-11,13H,12H2
InChIKeyGUPWCABWLDBTEW-UHFFFAOYSA-N
XLogP6.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.28
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine (CID 5297686) is 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine is Fc1ccc(-c2cc(-c3ccncc3)nc(Cc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine?
The InChIKey is GUPWCABWLDBTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3/c23-18-2-1-3-19(24)17(18)12-22-27-20(14-4-6-16(25)7-5-14)13-21(28-22)15-8-10-26-11-9-15/h1-11,13H,12H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine?
2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine has a molecular weight of 410.28 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine is sourced from PubChem (CID 5297686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).