3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol

C25H24N2O4 — CID 58280188

IUPAC3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC4CCCC(O)C4)c23)cc1
InChIInChI=1S/C25H24N2O4/c1-29-19-12-10-16(11-13-19)21-22-24(30-20-9-5-8-18(28)14-20)26-15-27-25(22)31-23(21)17-6-3-2-4-7-17/h2-4,6-7,10-13,15,18,20,28H,5,8-9,14H2,1H3
InChIKeyNVEOJHBLYNJCKV-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.25
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol

3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol (PubChem CID 58280188) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
PubChem CID58280188
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC4CCCC(O)C4)c23)cc1
InChIInChI=1S/C25H24N2O4/c1-29-19-12-10-16(11-13-19)21-22-24(30-20-9-5-8-18(28)14-20)26-15-27-25(22)31-23(21)17-6-3-2-4-7-17/h2-4,6-7,10-13,15,18,20,28H,5,8-9,14H2,1H3
InChIKeyNVEOJHBLYNJCKV-UHFFFAOYSA-N
XLogP5.25
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
The IUPAC name of 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol (CID 58280188) is 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC4CCCC(O)C4)c23)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
The InChIKey is NVEOJHBLYNJCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-29-19-12-10-16(11-13-19)21-22-24(30-20-9-5-8-18(28)14-20)26-15-27-25(22)31-23(21)17-6-3-2-4-7-17/h2-4,6-7,10-13,15,18,20,28H,5,8-9,14H2,1H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol has a molecular weight of 416.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 58280188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).