2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one

C25H20F2N4O — CID 151411607

IUPAC2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one
SMILESO=C(C(Cc1ccncn1)c1ccc(F)cc1)C(Cc1ccncn1)c1ccc(F)cc1
InChIInChI=1S/C25H20F2N4O/c26-19-5-1-17(2-6-19)23(13-21-9-11-28-15-30-21)25(32)24(14-22-10-12-29-16-31-22)18-3-7-20(27)8-4-18/h1-12,15-16,23-24H,13-14H2
InChIKeyOYQIFPSQDQLZPK-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.47
Rot. Bonds8

About 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one

2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one (PubChem CID 151411607) has the molecular formula C25H20F2N4O and a molecular weight of 430.46 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one
PubChem CID151411607
Molecular FormulaC25H20F2N4O
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one
SMILESO=C(C(Cc1ccncn1)c1ccc(F)cc1)C(Cc1ccncn1)c1ccc(F)cc1
InChIInChI=1S/C25H20F2N4O/c26-19-5-1-17(2-6-19)23(13-21-9-11-28-15-30-21)25(32)24(14-22-10-12-29-16-31-22)18-3-7-20(27)8-4-18/h1-12,15-16,23-24H,13-14H2
InChIKeyOYQIFPSQDQLZPK-UHFFFAOYSA-N
XLogP4.47
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-bis(2-chloropyrimidin-4-yl)-2,4-bis(4-fluorophenyl)pentan-3-one
CID 174666374
2-(4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 110296265
1-(4-fluorophenyl)-2-pyrimidin-4-ylethanone;4-methylpyrimidine
CID 159564004
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110301478
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
2-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110296341
(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
CID 97304087
4-(2-bromobutyl)pyrimidine
CID 63203531
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
2-(4-fluorophenyl)-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 110296305
2-amino-5-fluoro-N-(pyrimidin-4-ylmethyl)benzamide
CID 114110306
N-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296355

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one?
The IUPAC name of 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one (CID 151411607) is 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one is O=C(C(Cc1ccncn1)c1ccc(F)cc1)C(Cc1ccncn1)c1ccc(F)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one?
The InChIKey is OYQIFPSQDQLZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O/c26-19-5-1-17(2-6-19)23(13-21-9-11-28-15-30-21)25(32)24(14-22-10-12-29-16-31-22)18-3-7-20(27)8-4-18/h1-12,15-16,23-24H,13-14H2.
What are the key properties of 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one?
2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one has a molecular weight of 430.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one is sourced from PubChem (CID 151411607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).