4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C20H14F3N5O — CID 95800102

IUPAC4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)14-4-1-3-13(9-14)10-26-19-27-11-15(16-12-24-6-7-25-16)18(28-19)17-5-2-8-29-17/h1-9,11-12H,10H2,(H,26,27,28)
InChIKeyMWOCIDBLUTVGRM-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.82
Rot. Bonds5

About 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 95800102) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID95800102
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)14-4-1-3-13(9-14)10-26-19-27-11-15(16-12-24-6-7-25-16)18(28-19)17-5-2-8-29-17/h1-9,11-12H,10H2,(H,26,27,28)
InChIKeyMWOCIDBLUTVGRM-UHFFFAOYSA-N
XLogP4.82
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 95800102) is 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is FC(F)(F)c1cccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is MWOCIDBLUTVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)14-4-1-3-13(9-14)10-26-19-27-11-15(16-12-24-6-7-25-16)18(28-19)17-5-2-8-29-17/h1-9,11-12H,10H2,(H,26,27,28).
What are the key properties of 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 397.36 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-pyrazin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95800102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).