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

C13H11F3N4OS — CID 138033583

IUPAC5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cc(C(F)(F)F)on3)c2c1C
InChIInChI=1S/C13H11F3N4OS/c1-6-7(2)22-12-10(6)11(18-5-19-12)17-4-8-3-9(21-20-8)13(14,15)16/h3,5H,4H2,1-2H3,(H,17,18,19)
InChIKeyXWFQPFMWTMNLDC-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.93
Rot. Bonds3

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

5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 138033583) has the molecular formula C13H11F3N4OS and a molecular weight of 328.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID138033583
Molecular FormulaC13H11F3N4OS
Molecular Weight328.32 g/mol
Exact Mass328.06
IUPAC Name5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCc3cc(C(F)(F)F)on3)c2c1C
InChIInChI=1S/C13H11F3N4OS/c1-6-7(2)22-12-10(6)11(18-5-19-12)17-4-8-3-9(21-20-8)13(14,15)16/h3,5H,4H2,1-2H3,(H,17,18,19)
InChIKeyXWFQPFMWTMNLDC-UHFFFAOYSA-N
XLogP3.93
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 138033583) is 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCc3cc(C(F)(F)F)on3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XWFQPFMWTMNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4OS/c1-6-7(2)22-12-10(6)11(18-5-19-12)17-4-8-3-9(21-20-8)13(14,15)16/h3,5H,4H2,1-2H3,(H,17,18,19).
What are the key properties of 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 328.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138033583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).