5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine

C21H14F2N2O — CID 57299361

IUPAC5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)c(F)c1
InChIInChI=1S/C21H14F2N2O/c22-16-6-7-17(18(23)10-16)21(15-11-24-13-25-12-15)20-9-8-19(26-20)14-4-2-1-3-5-14/h1-13,21H
InChIKeyGRKJCXQPWCTVHW-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.20
Rot. Bonds4

About 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine

5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine (PubChem CID 57299361) has the molecular formula C21H14F2N2O and a molecular weight of 348.35 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
PubChem CID57299361
Molecular FormulaC21H14F2N2O
Molecular Weight348.35 g/mol
Exact Mass348.11
IUPAC Name5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)c(F)c1
InChIInChI=1S/C21H14F2N2O/c22-16-6-7-17(18(23)10-16)21(15-11-24-13-25-12-15)20-9-8-19(26-20)14-4-2-1-3-5-14/h1-13,21H
InChIKeyGRKJCXQPWCTVHW-UHFFFAOYSA-N
XLogP5.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine (CID 57299361) is 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine is Fc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)c(F)c1.
What is the InChIKey of 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The InChIKey is GRKJCXQPWCTVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O/c22-16-6-7-17(18(23)10-16)21(15-11-24-13-25-12-15)20-9-8-19(26-20)14-4-2-1-3-5-14/h1-13,21H.
What are the key properties of 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine has a molecular weight of 348.35 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine is sourced from PubChem (CID 57299361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).