4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine

C26H25FN2O2 — CID 143503749

IUPAC4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine
SMILESCCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC4CCCCC4)c23)cc1
InChIInChI=1S/C26H25FN2O2/c1-2-17-12-14-18(15-13-17)22-23-25(30-19-8-4-3-5-9-19)28-16-29-26(23)31-24(22)20-10-6-7-11-21(20)27/h6-7,10-16,19H,2-5,8-9H2,1H3
InChIKeyOBXRBOTZQJHAJX-UHFFFAOYSA-N
MW416.50 g/mol
LogP6.97
Rot. Bonds5

About 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine

4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine (PubChem CID 143503749) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine
PubChem CID143503749
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine
SMILESCCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC4CCCCC4)c23)cc1
InChIInChI=1S/C26H25FN2O2/c1-2-17-12-14-18(15-13-17)22-23-25(30-19-8-4-3-5-9-19)28-16-29-26(23)31-24(22)20-10-6-7-11-21(20)27/h6-7,10-16,19H,2-5,8-9H2,1H3
InChIKeyOBXRBOTZQJHAJX-UHFFFAOYSA-N
XLogP6.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylphenyl)-6-(2-fluorophenyl)-4-[(3R)-piperidin-3-yl]oxyfuro[2,3-d]pyrimidine
CID 58280099
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
methyl 4-[(3R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]butanoate
CID 58280061
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 58280188
(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol
CID 173143389
tert-butyl 2-[4-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopent-2-en-1-yl]oxyacetate
CID 67159886
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280263
2-amino-4-(4-ethylphenyl)-5-(2-fluorophenyl)furan-3-carbonitrile
CID 58016865
6-[[6-(2-fluorophenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
CID 58016862
methyl 6-[[6-(2-fluorophenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]hexanoate
CID 25096666

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine?
The IUPAC name of 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine (CID 143503749) is 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine.
What is the SMILES notation for 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine?
The canonical SMILES for 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine is CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC4CCCCC4)c23)cc1.
What is the InChIKey of 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine?
The InChIKey is OBXRBOTZQJHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-2-17-12-14-18(15-13-17)22-23-25(30-19-8-4-3-5-9-19)28-16-29-26(23)31-24(22)20-10-6-7-11-21(20)27/h6-7,10-16,19H,2-5,8-9H2,1H3.
What are the key properties of 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine?
4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine has a molecular weight of 416.50 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-5-(4-ethylphenyl)-6-(2-fluorophenyl)furo[2,3-d]pyrimidine is sourced from PubChem (CID 143503749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).