4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H17F3N4S — CID 114566898

IUPAC4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(SCCN(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4S/c1-4-15-10-16-8(11(12,13)14)7-9(17-10)19-6-5-18(2)3/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyJRZDCOHYZRZYOU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.58
Rot. Bonds6

About 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566898) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566898
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(SCCN(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4S/c1-4-15-10-16-8(11(12,13)14)7-9(17-10)19-6-5-18(2)3/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyJRZDCOHYZRZYOU-UHFFFAOYSA-N
XLogP2.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566898) is 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(SCCN(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JRZDCOHYZRZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-4-15-10-16-8(11(12,13)14)7-9(17-10)19-6-5-18(2)3/h7H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).