5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine

C25H20N4O — CID 46855046

IUPAC5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2oc3ncnc(NCCc4ccccn4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C25H20N4O/c1-3-9-18(10-4-1)21-22-24(27-16-14-20-13-7-8-15-26-20)28-17-29-25(22)30-23(21)19-11-5-2-6-12-19/h1-13,15,17H,14,16H2,(H,27,28,29)
InChIKeyMKCFPYHNEMADCN-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.61
Rot. Bonds6

About 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine

5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 46855046) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID46855046
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2oc3ncnc(NCCc4ccccn4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C25H20N4O/c1-3-9-18(10-4-1)21-22-24(27-16-14-20-13-7-8-15-26-20)28-17-29-25(22)30-23(21)19-11-5-2-6-12-19/h1-13,15,17H,14,16H2,(H,27,28,29)
InChIKeyMKCFPYHNEMADCN-UHFFFAOYSA-N
XLogP5.61
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine (CID 46855046) is 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine is c1ccc(-c2oc3ncnc(NCCc4ccccn4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is MKCFPYHNEMADCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-3-9-18(10-4-1)21-22-24(27-16-14-20-13-7-8-15-26-20)28-17-29-25(22)30-23(21)19-11-5-2-6-12-19/h1-13,15,17H,14,16H2,(H,27,28,29).
What are the key properties of 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine?
5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-N-(2-pyridin-2-ylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46855046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).