1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one

C27H19FN2O3 — CID 58272364

IUPAC1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C27H19FN2O3/c28-21-10-6-18(7-11-21)14-22(31)15-19-8-12-23(13-9-19)32-26-24-16-25(20-4-2-1-3-5-20)33-27(24)30-17-29-26/h1-13,16-17H,14-15H2
InChIKeyUVEBONAMBYZWMK-UHFFFAOYSA-N
MW438.46 g/mol
LogP6.18
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one

1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one (PubChem CID 58272364) has the molecular formula C27H19FN2O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one
PubChem CID58272364
Molecular FormulaC27H19FN2O3
Molecular Weight438.46 g/mol
Exact Mass438.14
IUPAC Name1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C27H19FN2O3/c28-21-10-6-18(7-11-21)14-22(31)15-19-8-12-23(13-9-19)32-26-24-16-25(20-4-2-1-3-5-20)33-27(24)30-17-29-26/h1-13,16-17H,14-15H2
InChIKeyUVEBONAMBYZWMK-UHFFFAOYSA-N
XLogP6.18
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one
CID 58272324
4-(2-methoxyphenoxy)-6-phenylfuro[2,3-d]pyrimidine
CID 1481287
1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one
CID 58272944
4-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]-N-(3-morpholin-4-ylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58272792
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-[(3S)-3-[3-(4-fluorophenyl)-4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 175680444
1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one
CID 158688608
1-(4-fluorophenyl)-3-[4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]urea;4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]aniline
CID 159683979
(2-phenyl-1,3-benzoxazol-6-yl) 2-(4-fluorophenyl)acetate
CID 110494576
4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine
CID 3326053
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 25123737

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one (CID 58272364) is 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one is O=C(Cc1ccc(F)cc1)Cc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one?
The InChIKey is UVEBONAMBYZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O3/c28-21-10-6-18(7-11-21)14-22(31)15-19-8-12-23(13-9-19)32-26-24-16-25(20-4-2-1-3-5-20)33-27(24)30-17-29-26/h1-13,16-17H,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one?
1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one has a molecular weight of 438.46 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one is sourced from PubChem (CID 58272364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).