6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine

C20H18N4O — CID 69414842

IUPAC6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESNc1cccc(-c2cc3c(NCCc4ccccc4)ncnc3o2)c1
InChIInChI=1S/C20H18N4O/c21-16-8-4-7-15(11-16)18-12-17-19(23-13-24-20(17)25-18)22-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10,21H2,(H,22,23,24)
InChIKeyYNULAXZLAGWMGZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.13
Rot. Bonds5

About 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine

6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 69414842) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID69414842
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESNc1cccc(-c2cc3c(NCCc4ccccc4)ncnc3o2)c1
InChIInChI=1S/C20H18N4O/c21-16-8-4-7-15(11-16)18-12-17-19(23-13-24-20(17)25-18)22-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10,21H2,(H,22,23,24)
InChIKeyYNULAXZLAGWMGZ-UHFFFAOYSA-N
XLogP4.13
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine (CID 69414842) is 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine is Nc1cccc(-c2cc3c(NCCc4ccccc4)ncnc3o2)c1.
What is the InChIKey of 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is YNULAXZLAGWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-16-8-4-7-15(11-16)18-12-17-19(23-13-24-20(17)25-18)22-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10,21H2,(H,22,23,24).
What are the key properties of 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine?
6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69414842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).