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

C7H8F3N3S — CID 106774959

IUPAC6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3S/c1-2-14-5-3-4(11)12-6(13-5)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyKAHMLWIPAYCEOQ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.19
Rot. Bonds2

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

6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774959) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774959
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3S/c1-2-14-5-3-4(11)12-6(13-5)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13)
InChIKeyKAHMLWIPAYCEOQ-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774959) is 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CCSc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KAHMLWIPAYCEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-2-14-5-3-4(11)12-6(13-5)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13).
What are the key properties of 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 223.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).