4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H14F3N3O — CID 4306095

IUPAC4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)15-11-13(14-7-4-10-24-14)22-16(23-15)21-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,21,22,23)
InChIKeyRKVNKRKTJZOCBT-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.41
Rot. Bonds5

About 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 4306095) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID4306095
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)15-11-13(14-7-4-10-24-14)22-16(23-15)21-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,21,22,23)
InChIKeyRKVNKRKTJZOCBT-UHFFFAOYSA-N
XLogP4.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 4306095) is 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RKVNKRKTJZOCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)15-11-13(14-7-4-10-24-14)22-16(23-15)21-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,21,22,23).
What are the key properties of 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 333.31 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 4306095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).