5-(furan-3-yl)-N-phenylpyrimidin-4-amine

C14H11N3O — CID 3233479

IUPAC5-(furan-3-yl)-N-phenylpyrimidin-4-amine
SMILESc1ccc(Nc2ncncc2-c2ccoc2)cc1
InChIInChI=1S/C14H11N3O/c1-2-4-12(5-3-1)17-14-13(8-15-10-16-14)11-6-7-18-9-11/h1-10H,(H,15,16,17)
InChIKeyFUQLJMBDYUMWCT-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.48
Rot. Bonds3

About 5-(furan-3-yl)-N-phenylpyrimidin-4-amine

5-(furan-3-yl)-N-phenylpyrimidin-4-amine (PubChem CID 3233479) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-phenylpyrimidin-4-amine
PubChem CID3233479
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-(furan-3-yl)-N-phenylpyrimidin-4-amine
SMILESc1ccc(Nc2ncncc2-c2ccoc2)cc1
InChIInChI=1S/C14H11N3O/c1-2-4-12(5-3-1)17-14-13(8-15-10-16-14)11-6-7-18-9-11/h1-10H,(H,15,16,17)
InChIKeyFUQLJMBDYUMWCT-UHFFFAOYSA-N
XLogP3.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-phenylpyrimidin-4-amine (CID 3233479) is 5-(furan-3-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-phenylpyrimidin-4-amine is c1ccc(Nc2ncncc2-c2ccoc2)cc1.
What is the InChIKey of 5-(furan-3-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is FUQLJMBDYUMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-4-12(5-3-1)17-14-13(8-15-10-16-14)11-6-7-18-9-11/h1-10H,(H,15,16,17).
What are the key properties of 5-(furan-3-yl)-N-phenylpyrimidin-4-amine?
5-(furan-3-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 3233479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).