5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine

C25H24FN3O2 — CID 58280099

IUPAC5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine
SMILESCCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H]4CCCNC4)c23)cc1
InChIInChI=1S/C25H24FN3O2/c1-2-16-9-11-17(12-10-16)21-22-24(30-18-6-5-13-27-14-18)28-15-29-25(22)31-23(21)19-7-3-4-8-20(19)26/h3-4,7-12,15,18,27H,2,5-6,13-14H2,1H3/t18-/m1/s1
InChIKeyPRWMQQGBWVXYKC-GOSISDBHSA-N
MW417.48 g/mol
LogP5.39
Rot. Bonds5

About 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine

5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine (PubChem CID 58280099) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine
PubChem CID58280099
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine
SMILESCCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H]4CCCNC4)c23)cc1
InChIInChI=1S/C25H24FN3O2/c1-2-16-9-11-17(12-10-16)21-22-24(30-18-6-5-13-27-14-18)28-15-29-25(22)31-23(21)19-7-3-4-8-20(19)26/h3-4,7-12,15,18,27H,2,5-6,13-14H2,1H3/t18-/m1/s1
InChIKeyPRWMQQGBWVXYKC-GOSISDBHSA-N
XLogP5.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine
CID 143503749
formyl 4-[(3R)-3-[5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]butanoate
CID 87292302
2-[(1S,3R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280066
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 58280188
tert-butyl 2-[4-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopent-2-en-1-yl]oxyacetate
CID 67159886
2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280263
4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
CID 86706460
2-amino-4-(4-ethylphenyl)-5-(2-fluorophenyl)furan-3-carbonitrile
CID 58016865
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
2-methyl-3-piperidin-3-yloxyquinoxaline
CID 62373713
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine?
The IUPAC name of 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine (CID 58280099) is 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine is CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H]4CCCNC4)c23)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine?
The InChIKey is PRWMQQGBWVXYKC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-2-16-9-11-17(12-10-16)21-22-24(30-18-6-5-13-27-14-18)28-15-29-25(22)31-23(21)19-7-3-4-8-20(19)26/h3-4,7-12,15,18,27H,2,5-6,13-14H2,1H3/t18-/m1/s1.
What are the key properties of 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine?
5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine has a molecular weight of 417.48 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine is sourced from PubChem (CID 58280099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).