N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H10F3N3S2 — CID 106774947

IUPACN-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3S2/c1-2-15-7-6-8(19-9-4-3-5-18-9)17-10(16-7)11(12,13)14/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyQASPOGMJGDTQOR-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.14
Rot. Bonds4

About N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774947) has the molecular formula C11H10F3N3S2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774947
Molecular FormulaC11H10F3N3S2
Molecular Weight305.35 g/mol
Exact Mass305.03
IUPAC NameN-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3S2/c1-2-15-7-6-8(19-9-4-3-5-18-9)17-10(16-7)11(12,13)14/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyQASPOGMJGDTQOR-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774947) is N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QASPOGMJGDTQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S2/c1-2-15-7-6-8(19-9-4-3-5-18-9)17-10(16-7)11(12,13)14/h3-6H,2H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).