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

C19H15F3N4OS — CID 90088079

IUPAC6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1
InChIInChI=1S/C19H15F3N4OS/c1-2-14-8-15-17(24-10-25-18(15)28-14)23-9-13-7-16(26-27-13)11-3-5-12(6-4-11)19(20,21)22/h3-8,10H,2,9H2,1H3,(H,23,24,25)
InChIKeyUWWFQGIJTXHKIG-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.54
Rot. Bonds5

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

6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 90088079) has the molecular formula C19H15F3N4OS and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID90088079
Molecular FormulaC19H15F3N4OS
Molecular Weight404.42 g/mol
Exact Mass404.09
IUPAC Name6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1
InChIInChI=1S/C19H15F3N4OS/c1-2-14-8-15-17(24-10-25-18(15)28-14)23-9-13-7-16(26-27-13)11-3-5-12(6-4-11)19(20,21)22/h3-8,10H,2,9H2,1H3,(H,23,24,25)
InChIKeyUWWFQGIJTXHKIG-UHFFFAOYSA-N
XLogP5.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 90088079) is 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UWWFQGIJTXHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4OS/c1-2-14-8-15-17(24-10-25-18(15)28-14)23-9-13-7-16(26-27-13)11-3-5-12(6-4-11)19(20,21)22/h3-8,10H,2,9H2,1H3,(H,23,24,25).
What are the key properties of 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 404.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90088079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).