N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

C15H13F3N4S — CID 67602111

IUPACN-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Cc1ncccc1C(F)(F)F)Nc1ncnc2sccc12
InChIInChI=1S/C15H13F3N4S/c1-9(7-12-11(15(16,17)18)3-2-5-19-12)22-13-10-4-6-23-14(10)21-8-20-13/h2-6,8-9H,7H2,1H3,(H,20,21,22)
InChIKeyWHNFRYHYZAPPDF-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.15
Rot. Bonds4

About N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 67602111) has the molecular formula C15H13F3N4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID67602111
Molecular FormulaC15H13F3N4S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC NameN-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Cc1ncccc1C(F)(F)F)Nc1ncnc2sccc12
InChIInChI=1S/C15H13F3N4S/c1-9(7-12-11(15(16,17)18)3-2-5-19-12)22-13-10-4-6-23-14(10)21-8-20-13/h2-6,8-9H,7H2,1H3,(H,20,21,22)
InChIKeyWHNFRYHYZAPPDF-UHFFFAOYSA-N
XLogP4.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 67602111) is N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is CC(Cc1ncccc1C(F)(F)F)Nc1ncnc2sccc12.
What is the InChIKey of N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WHNFRYHYZAPPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4S/c1-9(7-12-11(15(16,17)18)3-2-5-19-12)22-13-10-4-6-23-14(10)21-8-20-13/h2-6,8-9H,7H2,1H3,(H,20,21,22).
What are the key properties of N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67602111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).