2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H17F3N4S2 — CID 67627645

IUPAC2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1csc2cnc(CCSc3nc(N)cc(C(F)(F)F)n3)cc12
InChIInChI=1S/C17H17F3N4S2/c1-2-3-10-9-26-13-8-22-11(6-12(10)13)4-5-25-16-23-14(17(18,19)20)7-15(21)24-16/h6-9H,2-5H2,1H3,(H2,21,23,24)
InChIKeyQMXVGGNODDTPSL-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.97
Rot. Bonds6

About 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 67627645) has the molecular formula C17H17F3N4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID67627645
Molecular FormulaC17H17F3N4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCc1csc2cnc(CCSc3nc(N)cc(C(F)(F)F)n3)cc12
InChIInChI=1S/C17H17F3N4S2/c1-2-3-10-9-26-13-8-22-11(6-12(10)13)4-5-25-16-23-14(17(18,19)20)7-15(21)24-16/h6-9H,2-5H2,1H3,(H2,21,23,24)
InChIKeyQMXVGGNODDTPSL-UHFFFAOYSA-N
XLogP4.97
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 67627645) is 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is CCCc1csc2cnc(CCSc3nc(N)cc(C(F)(F)F)n3)cc12.
What is the InChIKey of 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QMXVGGNODDTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4S2/c1-2-3-10-9-26-13-8-22-11(6-12(10)13)4-5-25-16-23-14(17(18,19)20)7-15(21)24-16/h6-9H,2-5H2,1H3,(H2,21,23,24).
What are the key properties of 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 398.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propylthieno[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 67627645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).