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

C21H15FN2O — CID 54306722

IUPAC5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H15FN2O/c22-18-8-6-16(7-9-18)21(17-12-23-14-24-13-17)20-11-10-19(25-20)15-4-2-1-3-5-15/h1-14,21H
InChIKeySIAZAQUWCMANFC-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.06
Rot. Bonds4

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

5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine (PubChem CID 54306722) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
PubChem CID54306722
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H15FN2O/c22-18-8-6-16(7-9-18)21(17-12-23-14-24-13-17)20-11-10-19(25-20)15-4-2-1-3-5-15/h1-14,21H
InChIKeySIAZAQUWCMANFC-UHFFFAOYSA-N
XLogP5.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-({[4''-(2-Aminopyrimidin-5-yl)-3''-fluorobiphenyl-2-yl]oxy}methyl)benzoic acid
CID 90319637
4-{[4''-(2-Aminopyrimidin-5-yl)-3''-fluorobiphenyl-2-yl]oxy)benzamide
CID 90329811
US10308615, Example 37
CID 124112196
5-(1-Benzofuran-2-yl)pyrimidine-2,4-diamine
CID 44530976
5-(3-Fluorophenyl)-4-(2-furyl)pyrimidine
CID 127053044
[3-[(2,4-Diaminopyrimidin-5-yl)methyl]phenyl] benzoate
CID 44337557
4-(2-furyl)-5-[(E)-2-(4-phenylphenyl)vinyl]pyrimidine
CID 90682914
5-(2-Fluorophenyl)-4-(2-furyl)pyrimidine
CID 127049030
5-(2,4-Difluorophenyl)-4-(2-furyl)pyrimidine
CID 127052744
5-(4-Fluorophenyl)-4-(2-furyl)pyrimidine
CID 127053045
5-(3,5-Difluorophenyl)-4-(2-furyl)pyrimidine
CID 127053046
5-(1-Benzofuran-2-yl)pyrimidine
CID 10631732

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine (CID 54306722) is 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine is Fc1ccc(C(c2cncnc2)c2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The InChIKey is SIAZAQUWCMANFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-18-8-6-16(7-9-18)21(17-12-23-14-24-13-17)20-11-10-19(25-20)15-4-2-1-3-5-15/h1-14,21H.
What are the key properties of 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine has a molecular weight of 330.36 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine is sourced from PubChem (CID 54306722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).