6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3S — CID 106774958

IUPAC6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCSc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-3-15-6-4-5(12-2)13-7(14-6)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyLXCCDSCSEXVQDG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.65
Rot. Bonds3

About 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774958) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774958
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCSc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-3-15-6-4-5(12-2)13-7(14-6)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyLXCCDSCSEXVQDG-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774958) is 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CCSc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LXCCDSCSEXVQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-3-15-6-4-5(12-2)13-7(14-6)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 237.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).