2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C18H13F3N4OS — CID 18460320

IUPAC2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H13F3N4OS/c19-18(20,21)14-10-12-15(22-8-6-11-4-2-1-3-5-11)24-16(25-17(12)27-14)13-7-9-23-26-13/h1-5,7,9-10H,6,8H2,(H,22,24,25)
InChIKeyVWAUALXMKZQEOI-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.02
Rot. Bonds5

About 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460320) has the molecular formula C18H13F3N4OS and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460320
Molecular FormulaC18H13F3N4OS
Molecular Weight390.39 g/mol
Exact Mass390.08
IUPAC Name2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H13F3N4OS/c19-18(20,21)14-10-12-15(22-8-6-11-4-2-1-3-5-11)24-16(25-17(12)27-14)13-7-9-23-26-13/h1-5,7,9-10H,6,8H2,(H,22,24,25)
InChIKeyVWAUALXMKZQEOI-UHFFFAOYSA-N
XLogP5.02
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460320) is 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VWAUALXMKZQEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4OS/c19-18(20,21)14-10-12-15(22-8-6-11-4-2-1-3-5-11)24-16(25-17(12)27-14)13-7-9-23-26-13/h1-5,7,9-10H,6,8H2,(H,22,24,25).
What are the key properties of 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 390.39 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).