5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine

C24H23N3O3 — CID 142215847

IUPAC5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
SMILESCOc1ccc(-c2oc3ncnc(N4CCCC4)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-28-18-9-5-16(6-10-18)20-21-23(27-13-3-4-14-27)25-15-26-24(21)30-22(20)17-7-11-19(29-2)12-8-17/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyZBFWLOXOQJXXGH-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.17
Rot. Bonds5

About 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine

5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine (PubChem CID 142215847) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
PubChem CID142215847
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
SMILESCOc1ccc(-c2oc3ncnc(N4CCCC4)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O3/c1-28-18-9-5-16(6-10-18)20-21-23(27-13-3-4-14-27)25-15-26-24(21)30-22(20)17-7-11-19(29-2)12-8-17/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyZBFWLOXOQJXXGH-UHFFFAOYSA-N
XLogP5.17
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine (CID 142215847) is 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine is COc1ccc(-c2oc3ncnc(N4CCCC4)c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine?
The InChIKey is ZBFWLOXOQJXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-18-9-5-16(6-10-18)20-21-23(27-13-3-4-14-27)25-15-26-24(21)30-22(20)17-7-11-19(29-2)12-8-17/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine?
5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine has a molecular weight of 401.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 142215847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).