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

C14H10F3N3OS — CID 2990940

IUPAC4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1
InChIInChI=1S/C14H10F3N3OS/c15-14(16,17)12-7-10(11-4-1-5-21-11)19-13(20-12)18-8-9-3-2-6-22-9/h1-7H,8H2,(H,18,19,20)
InChIKeyJBYLXXPLZBHCAH-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.43
Rot. Bonds4

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

4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2990940) has the molecular formula C14H10F3N3OS and a molecular weight of 325.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2990940
Molecular FormulaC14H10F3N3OS
Molecular Weight325.31 g/mol
Exact Mass325.05
IUPAC Name4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1
InChIInChI=1S/C14H10F3N3OS/c15-14(16,17)12-7-10(11-4-1-5-21-11)19-13(20-12)18-8-9-3-2-6-22-9/h1-7H,8H2,(H,18,19,20)
InChIKeyJBYLXXPLZBHCAH-UHFFFAOYSA-N
XLogP4.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2990940) is 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1.
What is the InChIKey of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JBYLXXPLZBHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c15-14(16,17)12-7-10(11-4-1-5-21-11)19-13(20-12)18-8-9-3-2-6-22-9/h1-7H,8H2,(H,18,19,20).
What are the key properties of 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 325.31 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2990940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).