2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile

C21H16N4O2 — CID 70096176

IUPAC2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCCc2ccccc2)nc(-c2ccco2)nc1-c1ccco1
InChIInChI=1S/C21H16N4O2/c22-14-16-19(17-8-4-12-26-17)24-21(18-9-5-13-27-18)25-20(16)23-11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,23,24,25)
InChIKeyXREYKKHNIQQKTE-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.52
Rot. Bonds6

About 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile

2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile (PubChem CID 70096176) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile
PubChem CID70096176
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(NCCc2ccccc2)nc(-c2ccco2)nc1-c1ccco1
InChIInChI=1S/C21H16N4O2/c22-14-16-19(17-8-4-12-26-17)24-21(18-9-5-13-27-18)25-20(16)23-11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,23,24,25)
InChIKeyXREYKKHNIQQKTE-UHFFFAOYSA-N
XLogP4.52
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile (CID 70096176) is 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile is N#Cc1c(NCCc2ccccc2)nc(-c2ccco2)nc1-c1ccco1.
What is the InChIKey of 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile?
The InChIKey is XREYKKHNIQQKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-14-16-19(17-8-4-12-26-17)24-21(18-9-5-13-27-18)25-20(16)23-11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,23,24,25).
What are the key properties of 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile?
2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 70096176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).