2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol

C15H12F3N3OS — CID 146254383

IUPAC2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Nc1ncnc2ccsc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F3N3OS/c16-15(17,18)10-4-2-1-3-9(10)12(7-22)21-14-13-11(5-6-23-13)19-8-20-14/h1-6,8,12,22H,7H2,(H,19,20,21)
InChIKeyVAQBPMHGDUQCQH-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.86
Rot. Bonds4

About 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol

2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 146254383) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID146254383
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Nc1ncnc2ccsc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F3N3OS/c16-15(17,18)10-4-2-1-3-9(10)12(7-22)21-14-13-11(5-6-23-13)19-8-20-14/h1-6,8,12,22H,7H2,(H,19,20,21)
InChIKeyVAQBPMHGDUQCQH-UHFFFAOYSA-N
XLogP3.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol (CID 146254383) is 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol is OCC(Nc1ncnc2ccsc12)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VAQBPMHGDUQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c16-15(17,18)10-4-2-1-3-9(10)12(7-22)21-14-13-11(5-6-23-13)19-8-20-14/h1-6,8,12,22H,7H2,(H,19,20,21).
What are the key properties of 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol?
2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 339.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 146254383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).