5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine

C21H14ClFN2O — CID 54406868

IUPAC5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFC(c1ccc(Cl)cc1)(c1cncnc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H14ClFN2O/c22-18-8-6-16(7-9-18)21(23,17-12-24-14-25-13-17)20-11-10-19(26-20)15-4-2-1-3-5-15/h1-14H
InChIKeyVRHZDRVYLACYGD-UHFFFAOYSA-N
MW364.81 g/mol
LogP5.65
Rot. Bonds4

About 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine

5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine (PubChem CID 54406868) has the molecular formula C21H14ClFN2O and a molecular weight of 364.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine
PubChem CID54406868
Molecular FormulaC21H14ClFN2O
Molecular Weight364.81 g/mol
Exact Mass364.08
IUPAC Name5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFC(c1ccc(Cl)cc1)(c1cncnc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H14ClFN2O/c22-18-8-6-16(7-9-18)21(23,17-12-24-14-25-13-17)20-11-10-19(26-20)15-4-2-1-3-5-15/h1-14H
InChIKeyVRHZDRVYLACYGD-UHFFFAOYSA-N
XLogP5.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.81
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine (CID 54406868) is 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine is FC(c1ccc(Cl)cc1)(c1cncnc1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine?
The InChIKey is VRHZDRVYLACYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O/c22-18-8-6-16(7-9-18)21(23,17-12-24-14-25-13-17)20-11-10-19(26-20)15-4-2-1-3-5-15/h1-14H.
What are the key properties of 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine?
5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine has a molecular weight of 364.81 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-fluoro-(5-phenylfuran-2-yl)methyl]pyrimidine is sourced from PubChem (CID 54406868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).